2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine

C32H31ClN4O2 — CID 132933267

IUPAC2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc2c(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C32H31ClN4O2/c1-5-37(6-2)31-29-19-23(21-10-14-26(38-3)15-11-21)18-28(22-12-16-27(39-4)17-13-22)30(29)35-32(36-31)34-25-9-7-8-24(33)20-25/h7-20H,5-6H2,1-4H3,(H,34,35,36)
InChIKeyPXJRZTVDZVYHOU-UHFFFAOYSA-N
MW539.08 g/mol
LogP8.22
Rot. Bonds9

About 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine

2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 132933267) has the molecular formula C32H31ClN4O2 and a molecular weight of 539.08 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID132933267
Molecular FormulaC32H31ClN4O2
Molecular Weight539.08 g/mol
Exact Mass538.21
IUPAC Name2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc2c(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C32H31ClN4O2/c1-5-37(6-2)31-29-19-23(21-10-14-26(38-3)15-11-21)18-28(22-12-16-27(39-4)17-13-22)30(29)35-32(36-31)34-25-9-7-8-24(33)20-25/h7-20H,5-6H2,1-4H3,(H,34,35,36)
InChIKeyPXJRZTVDZVYHOU-UHFFFAOYSA-N
XLogP8.22
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.08
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 158298723
2-[2-(3-chloroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342093
2-N,4-N-bis(3-chlorophenyl)-6-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 162030855
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 6539464
2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 123487544
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine (CID 132933267) is 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine is CCN(CC)c1nc(Nc2cccc(Cl)c2)nc2c(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)cc12.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is PXJRZTVDZVYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN4O2/c1-5-37(6-2)31-29-19-23(21-10-14-26(38-3)15-11-21)18-28(22-12-16-27(39-4)17-13-22)30(29)35-32(36-31)34-25-9-7-8-24(33)20-25/h7-20H,5-6H2,1-4H3,(H,34,35,36).
What are the key properties of 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine?
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 539.08 g/mol, XLogP of 8.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 132933267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).