2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine

C15H18ClN3 — CID 55081167

IUPAC2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
SMILESCCCN(CC1CC1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H18ClN3/c1-2-9-19(10-11-7-8-11)14-12-5-3-4-6-13(12)17-15(16)18-14/h3-6,11H,2,7-10H2,1H3
InChIKeyVZDMVJDMERHXRJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.91
Rot. Bonds5

About 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine

2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine (PubChem CID 55081167) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
PubChem CID55081167
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
SMILESCCCN(CC1CC1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H18ClN3/c1-2-9-19(10-11-7-8-11)14-12-5-3-4-6-13(12)17-15(16)18-14/h3-6,11H,2,7-10H2,1H3
InChIKeyVZDMVJDMERHXRJ-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
CID 62476660
2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
CID 22693267
2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
CID 61441562
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
CID 62476819
2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
CID 63692737
2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
CID 63550299
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 63587069
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine
CID 18326542
2-N-methyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80764587
2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
CID 62545795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine (CID 55081167) is 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine is CCCN(CC1CC1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine?
The InChIKey is VZDMVJDMERHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-9-19(10-11-7-8-11)14-12-5-3-4-6-13(12)17-15(16)18-14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine?
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine is sourced from PubChem (CID 55081167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).