N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C28H30FN5O — CID 59631388

IUPACN-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(CN(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C28H30FN5O/c1-19-27(24-8-7-21(29)16-26(24)32-28(19)25-6-4-5-9-30-25)31-22-14-20(18-33(2)3)15-23(17-22)34-10-12-35-13-11-34/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,32)
InChIKeyPOSQWTIQODDRRO-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.39
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631388) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631388
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC NameN-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(CN(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C28H30FN5O/c1-19-27(24-8-7-21(29)16-26(24)32-28(19)25-6-4-5-9-30-25)31-22-14-20(18-33(2)3)15-23(17-22)34-10-12-35-13-11-34/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,32)
InChIKeyPOSQWTIQODDRRO-UHFFFAOYSA-N
XLogP5.39
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Related Compounds

4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
[4-(4-Methylpiperazinyl)phenyl]-4-quinolylamine
CID 4567175
4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-5-yl)benzyl)morpholine
CID 46398810
4-[3,3-Dimethyl-6-(Morpholin-4-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-7-Fluoro-3-Methyl-2-(Pyridin-3-Yl)quinoline
CID 50939209
[2-(3,4-Difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide
CID 53492945
4-(4-Methylpiperazino)-2-(4-pyridyl)quinoline
CID 453071
N-(2-Morpholin-4-ylethyl)benzo(g)quinolin-4-amine
CID 182791
N-(4-Morpholin-4-ylphenyl)benzo(g)quinolin-4-amine
CID 182792
3-morpholino-N-(3-nitrobenzy l)-7-(trifluoromethyl)quinolin-5-amine
CID 52937219
4-[[2,6-Difluoro-4-[3-(1-piperidin-1-ium-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholin-4-ium
CID 72200117
ST049212
CID 630400

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631388) is N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(CN(C)C)cc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is POSQWTIQODDRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-19-27(24-8-7-21(29)16-26(24)32-28(19)25-6-4-5-9-30-25)31-22-14-20(18-33(2)3)15-23(17-22)34-10-12-35-13-11-34/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,32).
What are the key properties of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 471.58 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).