N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine

C22H24ClFN4O2 — CID 18474784

IUPACN-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine
SMILESCOc1nc(Nc2ccc(Cl)cc2F)c2cc(OC)c(C3CCCN(C)C3)cc2n1
InChIInChI=1S/C22H24ClFN4O2/c1-28-8-4-5-13(12-28)15-10-19-16(11-20(15)29-2)21(27-22(26-19)30-3)25-18-7-6-14(23)9-17(18)24/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,25,26,27)
InChIKeyVMFPOLWHGLQSAO-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.99
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine (PubChem CID 18474784) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine
PubChem CID18474784
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine
SMILESCOc1nc(Nc2ccc(Cl)cc2F)c2cc(OC)c(C3CCCN(C)C3)cc2n1
InChIInChI=1S/C22H24ClFN4O2/c1-28-8-4-5-13(12-28)15-10-19-16(11-20(15)29-2)21(27-22(26-19)30-3)25-18-7-6-14(23)9-17(18)24/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,25,26,27)
InChIKeyVMFPOLWHGLQSAO-UHFFFAOYSA-N
XLogP4.99
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine with MolForge

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Related Compounds

5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine
CID 461920
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329041
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329047
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 5329052
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-{[(3R)-1-methylpiperidin-3-yl]methoxy}quinazolin-4-amine
CID 5329055
5-[[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25003843
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890
1,4-Pentanediamine, N(sup 4)-(2-(2-(2,4-dichlorophenyl)ethenyl)-6-methoxy-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 6047191
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 71511622
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
CID 5329030
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 19595108
2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10044675

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine (CID 18474784) is N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine is COc1nc(Nc2ccc(Cl)cc2F)c2cc(OC)c(C3CCCN(C)C3)cc2n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine?
The InChIKey is VMFPOLWHGLQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-28-8-4-5-13(12-28)15-10-19-16(11-20(15)29-2)21(27-22(26-19)30-3)25-18-7-6-14(23)9-17(18)24/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,25,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine has a molecular weight of 430.91 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2,6-dimethoxy-7-(1-methylpiperidin-3-yl)quinazolin-4-amine is sourced from PubChem (CID 18474784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).