N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine

C20H23N3 — CID 15992174

IUPACN-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
SMILESCCCCN(C)c1nc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C20H23N3/c1-4-5-14-23(3)20-17-8-6-7-9-18(17)21-19(22-20)16-12-10-15(2)11-13-16/h6-13H,4-5,14H2,1-3H3
InChIKeyQDPZJYLRCMTOME-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.84
Rot. Bonds5

About N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine

N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine (PubChem CID 15992174) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
PubChem CID15992174
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
SMILESCCCCN(C)c1nc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C20H23N3/c1-4-5-14-23(3)20-17-8-6-7-9-18(17)21-19(22-20)16-12-10-15(2)11-13-16/h6-13H,4-5,14H2,1-3H3
InChIKeyQDPZJYLRCMTOME-UHFFFAOYSA-N
XLogP4.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine (CID 15992174) is N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine is CCCCN(C)c1nc(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is QDPZJYLRCMTOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-5-14-23(3)20-17-8-6-7-9-18(17)21-19(22-20)16-12-10-15(2)11-13-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine?
N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 15992174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).