N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine

C30H27Cl2N5 — CID 164820966

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine
SMILESCc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3ccnc4ccc(Cl)cc34)cc12
InChIInChI=1S/C30H27Cl2N5/c1-19-26-16-21(25-10-13-33-28-9-7-23(32)17-27(25)28)4-8-29(26)36-30(34-19)35-24-11-14-37(15-12-24)18-20-2-5-22(31)6-3-20/h2-10,13,16-17,24H,11-12,14-15,18H2,1H3,(H,34,35,36)
InChIKeyZKAQQIOOFKBEIF-UHFFFAOYSA-N
MW528.49 g/mol
LogP7.54
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine (PubChem CID 164820966) has the molecular formula C30H27Cl2N5 and a molecular weight of 528.49 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine
PubChem CID164820966
Molecular FormulaC30H27Cl2N5
Molecular Weight528.49 g/mol
Exact Mass527.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine
SMILESCc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3ccnc4ccc(Cl)cc34)cc12
InChIInChI=1S/C30H27Cl2N5/c1-19-26-16-21(25-10-13-33-28-9-7-23(32)17-27(25)28)4-8-29(26)36-30(34-19)35-24-11-14-37(15-12-24)18-20-2-5-22(31)6-3-20/h2-10,13,16-17,24H,11-12,14-15,18H2,1H3,(H,34,35,36)
InChIKeyZKAQQIOOFKBEIF-UHFFFAOYSA-N
XLogP7.54
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.49
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine
CID 164820996
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-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-4-methyl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazolin-2-amine
CID 164820951
(4-chlorophenyl)-[4-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-4-methylquinazolin-2-yl]amino]piperidin-1-yl]methanone
CID 164734444
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
4,6-bis(4-chlorophenyl)quinoline
CID 11187194
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
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 46882226

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine (CID 164820966) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine is Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccc(-c3ccnc4ccc(Cl)cc34)cc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine?
The InChIKey is ZKAQQIOOFKBEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N5/c1-19-26-16-21(25-10-13-33-28-9-7-23(32)17-27(25)28)4-8-29(26)36-30(34-19)35-24-11-14-37(15-12-24)18-20-2-5-22(31)6-3-20/h2-10,13,16-17,24H,11-12,14-15,18H2,1H3,(H,34,35,36).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine has a molecular weight of 528.49 g/mol, XLogP of 7.54, 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]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine is sourced from PubChem (CID 164820966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).