(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide

C73H91F3N12O6 — CID 123501509

IUPAC(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide
SMILESCC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2cccnc2c1
InChIInChI=1S/C26H29F3N4O2.C25H30N4O2.C22H32N4O2/c27-26(28,29)20-10-7-17(8-11-20)9-12-23(33-25(35)21(31)5-3-13-30)24(34)15-18-14-19-4-1-2-6-22(19)32-16-18;26-14-4-9-21(27)25(31)29-22(13-11-18-6-2-1-3-7-18)24(30)17-19-10-12-20-8-5-15-28-23(20)16-19;1-15(2)9-10-20(26-22(28)18(24)7-5-11-23)21(27)13-16-12-17-6-3-4-8-19(17)25-14-16/h1-2,4,6-8,10-11,14,16,21,23H,3,5,9,12-13,15,30-31H2,(H,33,35);1-3,5-8,10,12,15-16,21-22H,4,9,11,13-14,17,26-27H2,(H,29,31);3-4,6,8,12,14-15,18,20H,5,7,9-11,13,23-24H2,1-2H3,(H,26,28)/t21-,23+;21-,22+;18-,20+/m000/s1
InChIKeyRKUNRTNIVMESJC-LASFRVKHSA-N
MW1289.60 g/mol
LogP8.41
Rot. Bonds33

About (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide

(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide (PubChem CID 123501509) has the molecular formula C73H91F3N12O6 and a molecular weight of 1289.60 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide
PubChem CID123501509
Molecular FormulaC73H91F3N12O6
Molecular Weight1289.60 g/mol
Exact Mass1288.71
IUPAC Name(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide
SMILESCC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2cccnc2c1
InChIInChI=1S/C26H29F3N4O2.C25H30N4O2.C22H32N4O2/c27-26(28,29)20-10-7-17(8-11-20)9-12-23(33-25(35)21(31)5-3-13-30)24(34)15-18-14-19-4-1-2-6-22(19)32-16-18;26-14-4-9-21(27)25(31)29-22(13-11-18-6-2-1-3-7-18)24(30)17-19-10-12-20-8-5-15-28-23(20)16-19;1-15(2)9-10-20(26-22(28)18(24)7-5-11-23)21(27)13-16-12-17-6-3-4-8-19(17)25-14-16/h1-2,4,6-8,10-11,14,16,21,23H,3,5,9,12-13,15,30-31H2,(H,33,35);1-3,5-8,10,12,15-16,21-22H,4,9,11,13-14,17,26-27H2,(H,29,31);3-4,6,8,12,14-15,18,20H,5,7,9-11,13,23-24H2,1-2H3,(H,26,28)/t21-,23+;21-,22+;18-,20+/m000/s1
InChIKeyRKUNRTNIVMESJC-LASFRVKHSA-N
XLogP8.41
TPSA333.30 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001289.60
LogP ≤ 58.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide (CID 123501509) is (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide is CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2cccnc2c1.
What is the InChIKey of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide?
The InChIKey is RKUNRTNIVMESJC-LASFRVKHSA-N. The full InChI is InChI=1S/C26H29F3N4O2.C25H30N4O2.C22H32N4O2/c27-26(28,29)20-10-7-17(8-11-20)9-12-23(33-25(35)21(31)5-3-13-30)24(34)15-18-14-19-4-1-2-6-22(19)32-16-18;26-14-4-9-21(27)25(31)29-22(13-11-18-6-2-1-3-7-18)24(30)17-19-10-12-20-8-5-15-28-23(20)16-19;1-15(2)9-10-20(26-22(28)18(24)7-5-11-23)21(27)13-16-12-17-6-3-4-8-19(17)25-14-16/h1-2,4,6-8,10-11,14,16,21,23H,3,5,9,12-13,15,30-31H2,(H,33,35);1-3,5-8,10,12,15-16,21-22H,4,9,11,13-14,17,26-27H2,(H,29,31);3-4,6,8,12,14-15,18,20H,5,7,9-11,13,23-24H2,1-2H3,(H,26,28)/t21-,23+;21-,22+;18-,20+/m000/s1.
What are the key properties of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide?
(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide has a molecular weight of 1289.60 g/mol, XLogP of 8.41, 33 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide is sourced from PubChem (CID 123501509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).