N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine

C27H28ClN5 — CID 164820996

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCc1ncccc1-c1ccc2nc(NC3CCN(Cc4ccc(Cl)cc4)CC3)nc(C)c2c1
InChIInChI=1S/C27H28ClN5/c1-18-24(4-3-13-29-18)21-7-10-26-25(16-21)19(2)30-27(32-26)31-23-11-14-33(15-12-23)17-20-5-8-22(28)9-6-20/h3-10,13,16,23H,11-12,14-15,17H2,1-2H3,(H,30,31,32)
InChIKeyGTGLEMXTLOUDSO-UHFFFAOYSA-N
MW458.01 g/mol
LogP6.04
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine (PubChem CID 164820996) has the molecular formula C27H28ClN5 and a molecular weight of 458.01 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine
PubChem CID164820996
Molecular FormulaC27H28ClN5
Molecular Weight458.01 g/mol
Exact Mass457.20
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCc1ncccc1-c1ccc2nc(NC3CCN(Cc4ccc(Cl)cc4)CC3)nc(C)c2c1
InChIInChI=1S/C27H28ClN5/c1-18-24(4-3-13-29-18)21-7-10-26-25(16-21)19(2)30-27(32-26)31-23-11-14-33(15-12-23)17-20-5-8-22(28)9-6-20/h3-10,13,16,23H,11-12,14-15,17H2,1-2H3,(H,30,31,32)
InChIKeyGTGLEMXTLOUDSO-UHFFFAOYSA-N
XLogP6.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.01
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine
CID 164820966
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-4-methyl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazolin-2-amine
CID 164820951
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-amine
CID 164821012
6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine
CID 164821038
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
(4-chlorophenyl)-[(2R,4R)-4-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylquinazolin-2-yl]amino]-2-methylpiperidin-1-yl]methanone
CID 164820994
1-[5-[2-[[1-(4-chlorobenzoyl)-2-methylpiperidin-4-yl]amino]-4-methylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 164820970
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 117088890

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine (CID 164820996) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine is Cc1ncccc1-c1ccc2nc(NC3CCN(Cc4ccc(Cl)cc4)CC3)nc(C)c2c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is GTGLEMXTLOUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5/c1-18-24(4-3-13-29-18)21-7-10-26-25(16-21)19(2)30-27(32-26)31-23-11-14-33(15-12-23)17-20-5-8-22(28)9-6-20/h3-10,13,16,23H,11-12,14-15,17H2,1-2H3,(H,30,31,32).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 458.01 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 164820996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).