2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine

C15H17ClN4 — CID 114693340

IUPAC2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
SMILESClc1nc(NC2CC2)c2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C15H17ClN4/c16-15-18-13-6-5-11(20-7-1-2-8-20)9-12(13)14(19-15)17-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H,17,18,19)
InChIKeyATUIANOFUWRVCS-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine

2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 114693340) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID114693340
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
SMILESClc1nc(NC2CC2)c2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C15H17ClN4/c16-15-18-13-6-5-11(20-7-1-2-8-20)9-12(13)14(19-15)17-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H,17,18,19)
InChIKeyATUIANOFUWRVCS-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475298
2,7-dichloro-N-cyclopropylquinazolin-4-amine
CID 114693120
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-chloro-N-cyclohexyl-7-methylquinazolin-4-amine
CID 134109451
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
2,6-dichloro-4-pyrrolidin-1-ylquinazoline
CID 114692901
4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
CID 63561695
2-chloro-N-cyclobutylfuro[3,2-d]pyrimidin-4-amine
CID 87562610
cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
CID 158200899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine (CID 114693340) is 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine is Clc1nc(NC2CC2)c2cc(N3CCCC3)ccc2n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is ATUIANOFUWRVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-15-18-13-6-5-11(20-7-1-2-8-20)9-12(13)14(19-15)17-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H,17,18,19).
What are the key properties of 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine?
2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 114693340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).