2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine

C14H18ClN3 — CID 62477689

IUPAC2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
SMILESCCC(C)CN(C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H18ClN3/c1-4-10(2)9-18(3)13-11-7-5-6-8-12(11)16-14(15)17-13/h5-8,10H,4,9H2,1-3H3
InChIKeyMDFKVUVVZOAIIK-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine

2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine (PubChem CID 62477689) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
PubChem CID62477689
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
SMILESCCC(C)CN(C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H18ClN3/c1-4-10(2)9-18(3)13-11-7-5-6-8-12(11)16-14(15)17-13/h5-8,10H,4,9H2,1-3H3
InChIKeyMDFKVUVVZOAIIK-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine (CID 62477689) is 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine is CCC(C)CN(C)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine?
The InChIKey is MDFKVUVVZOAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-10(2)9-18(3)13-11-7-5-6-8-12(11)16-14(15)17-13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine?
2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine has a molecular weight of 263.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine is sourced from PubChem (CID 62477689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).