(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide

C24H26Cl2N4O2 — CID 92654184

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C24H26Cl2N4O2/c1-15-12-23(30-10-8-29(3)9-11-30)28-21-6-5-18(14-19(15)21)27-24(31)16(2)32-22-7-4-17(25)13-20(22)26/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,31)/t16-/m1/s1
InChIKeyYVDKIOCGSQYBND-MRXNPFEDSA-N
MW473.40 g/mol
LogP5.01
Rot. Bonds5

About (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide (PubChem CID 92654184) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
PubChem CID92654184
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C24H26Cl2N4O2/c1-15-12-23(30-10-8-29(3)9-11-30)28-21-6-5-18(14-19(15)21)27-24(31)16(2)32-22-7-4-17(25)13-20(22)26/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,31)/t16-/m1/s1
InChIKeyYVDKIOCGSQYBND-MRXNPFEDSA-N
XLogP5.01
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654185
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 25336134
2,3-bis(2,4-dichlorophenoxy)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylquinazolin-6-yl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]butanediamide
CID 87952872
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 58646148
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031
(2R)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 1093478
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide (CID 92654184) is (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
The InChIKey is YVDKIOCGSQYBND-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-15-12-23(30-10-8-29(3)9-11-30)28-21-6-5-18(14-19(15)21)27-24(31)16(2)32-22-7-4-17(25)13-20(22)26/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,31)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide has a molecular weight of 473.40 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide is sourced from PubChem (CID 92654184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).