N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine

C23H28ClN3 — CID 139821522

IUPACN-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
SMILESCCCCN(CC)c1ncnc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12
InChIInChI=1S/C23H28ClN3/c1-6-8-9-27(7-2)23-20-13-18(24)12-19(22(20)25-14-26-23)21-16(4)10-15(3)11-17(21)5/h10-14H,6-9H2,1-5H3
InChIKeyJYMMLQDPKZVHOQ-UHFFFAOYSA-N
MW381.95 g/mol
LogP6.50
Rot. Bonds6

About N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine

N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine (PubChem CID 139821522) has the molecular formula C23H28ClN3 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
PubChem CID139821522
Molecular FormulaC23H28ClN3
Molecular Weight381.95 g/mol
Exact Mass381.20
IUPAC NameN-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
SMILESCCCCN(CC)c1ncnc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12
InChIInChI=1S/C23H28ClN3/c1-6-8-9-27(7-2)23-20-13-18(24)12-19(22(20)25-14-26-23)21-16(4)10-15(3)11-17(21)5/h10-14H,6-9H2,1-5H3
InChIKeyJYMMLQDPKZVHOQ-UHFFFAOYSA-N
XLogP6.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
The IUPAC name of N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine (CID 139821522) is N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
The canonical SMILES for N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine is CCCCN(CC)c1ncnc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12.
What is the InChIKey of N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
The InChIKey is JYMMLQDPKZVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3/c1-6-8-9-27(7-2)23-20-13-18(24)12-19(22(20)25-14-26-23)21-16(4)10-15(3)11-17(21)5/h10-14H,6-9H2,1-5H3.
What are the key properties of N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine has a molecular weight of 381.95 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine is sourced from PubChem (CID 139821522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).