2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine

C15H19ClN4 — CID 12703170

IUPAC2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
SMILESClc1nc(NCCCN2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H19ClN4/c16-15-18-13-7-2-1-6-12(13)14(19-15)17-8-5-11-20-9-3-4-10-20/h1-2,6-7H,3-5,8-11H2,(H,17,18,19)
InChIKeyIPJIBHBRFBEKSB-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.18
Rot. Bonds5

About 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine

2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine (PubChem CID 12703170) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
PubChem CID12703170
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
SMILESClc1nc(NCCCN2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H19ClN4/c16-15-18-13-7-2-1-6-12(13)14(19-15)17-8-5-11-20-9-3-4-10-20/h1-2,6-7H,3-5,8-11H2,(H,17,18,19)
InChIKeyIPJIBHBRFBEKSB-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
CID 12703339
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 20963288
N-(3-pyrrolidin-1-ylpropyl)-2,1-benzothiazol-3-amine
CID 66355718
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine (CID 12703170) is 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine is Clc1nc(NCCCN2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine?
The InChIKey is IPJIBHBRFBEKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-15-18-13-7-2-1-6-12(13)14(19-15)17-8-5-11-20-9-3-4-10-20/h1-2,6-7H,3-5,8-11H2,(H,17,18,19).
What are the key properties of 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine?
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 12703170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).