6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine

C29H23Cl2N3 — CID 118916056

IUPAC6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3ncnc(NCCc4ccccc4)c3c2)cc1
InChIInChI=1S/C29H23Cl2N3/c30-24-11-6-21(7-12-24)28(22-8-13-25(31)14-9-22)23-10-15-27-26(18-23)29(34-19-33-27)32-17-16-20-4-2-1-3-5-20/h1-15,18-19,28H,16-17H2,(H,32,33,34)
InChIKeyZAPTUIAOPYZKKS-UHFFFAOYSA-N
MW484.43 g/mol
LogP7.77
Rot. Bonds7

About 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine

6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine (PubChem CID 118916056) has the molecular formula C29H23Cl2N3 and a molecular weight of 484.43 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
PubChem CID118916056
Molecular FormulaC29H23Cl2N3
Molecular Weight484.43 g/mol
Exact Mass483.13
IUPAC Name6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3ncnc(NCCc4ccccc4)c3c2)cc1
InChIInChI=1S/C29H23Cl2N3/c30-24-11-6-21(7-12-24)28(22-8-13-25(31)14-9-22)23-10-15-27-26(18-23)29(34-19-33-27)32-17-16-20-4-2-1-3-5-20/h1-15,18-19,28H,16-17H2,(H,32,33,34)
InChIKeyZAPTUIAOPYZKKS-UHFFFAOYSA-N
XLogP7.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
CID 23632000
methyl 4-[[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]methyl]benzoate
CID 118916124
6-[bis(4-chlorophenyl)methyl]-4-chloroquinazoline
CID 118916146
6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
CID 23631998
7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
CID 36722460
6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
CID 19751395
[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]-phenylmethanone
CID 118916273
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
3-[[3-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]pyrrolidin-1-yl]methyl]benzoic acid
CID 118916047
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine (CID 118916056) is 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine is Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3ncnc(NCCc4ccccc4)c3c2)cc1.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine?
The InChIKey is ZAPTUIAOPYZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3/c30-24-11-6-21(7-12-24)28(22-8-13-25(31)14-9-22)23-10-15-27-26(18-23)29(34-19-33-27)32-17-16-20-4-2-1-3-5-20/h1-15,18-19,28H,16-17H2,(H,32,33,34).
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine?
6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine has a molecular weight of 484.43 g/mol, XLogP of 7.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 118916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).