N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine

C23H25ClN4 — CID 125461812

IUPACN-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine
SMILESCc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3)n1)[C@@H](C)CC(C)(C)N2
InChIInChI=1S/C23H25ClN4/c1-14-11-21-19(15(2)13-23(3,4)28-21)12-18(14)20-9-10-25-22(27-20)26-17-7-5-16(24)6-8-17/h5-12,15,28H,13H2,1-4H3,(H,25,26,27)/t15-/m0/s1
InChIKeyQRKYXQDDIOKQOX-HNNXBMFYSA-N
MW392.93 g/mol
LogP6.55
Rot. Bonds3

About N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine

N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine (PubChem CID 125461812) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine
PubChem CID125461812
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC NameN-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine
SMILESCc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3)n1)[C@@H](C)CC(C)(C)N2
InChIInChI=1S/C23H25ClN4/c1-14-11-21-19(15(2)13-23(3,4)28-21)12-18(14)20-9-10-25-22(27-20)26-17-7-5-16(24)6-8-17/h5-12,15,28H,13H2,1-4H3,(H,25,26,27)/t15-/m0/s1
InChIKeyQRKYXQDDIOKQOX-HNNXBMFYSA-N
XLogP6.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)pyrimidin-2-amine
CID 122714408
N-phenyl-4-[(4R)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine
CID 125461748
2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-ol
CID 59639100
N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11231940
4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine
CID 91440731
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
N-[5-[2-(4-chloroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]formamide
CID 142894175
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine (CID 125461812) is N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine is Cc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3)n1)[C@@H](C)CC(C)(C)N2.
What is the InChIKey of N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine?
The InChIKey is QRKYXQDDIOKQOX-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-14-11-21-19(15(2)13-23(3,4)28-21)12-18(14)20-9-10-25-22(27-20)26-17-7-5-16(24)6-8-17/h5-12,15,28H,13H2,1-4H3,(H,25,26,27)/t15-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine?
N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine has a molecular weight of 392.93 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(4S)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 125461812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).