2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine

C15H16ClN3 — CID 114156958

IUPAC2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
SMILESClc1nc(NCCC2=CCCC2)c2ccccc2n1
InChIInChI=1S/C15H16ClN3/c16-15-18-13-8-4-3-7-12(13)14(19-15)17-10-9-11-5-1-2-6-11/h3-5,7-8H,1-2,6,9-10H2,(H,17,18,19)
InChIKeyLUKVRVUBRVIJMP-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine

2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine (PubChem CID 114156958) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
PubChem CID114156958
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
SMILESClc1nc(NCCC2=CCCC2)c2ccccc2n1
InChIInChI=1S/C15H16ClN3/c16-15-18-13-8-4-3-7-12(13)14(19-15)17-10-9-11-5-1-2-6-11/h3-5,7-8H,1-2,6,9-10H2,(H,17,18,19)
InChIKeyLUKVRVUBRVIJMP-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-fluorophenyl)quinazolin-4-amine
CID 3693865
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964310
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
CID 63833541
N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337
5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
CID 106197318
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963375
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 93214217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine (CID 114156958) is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine is Clc1nc(NCCC2=CCCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine?
The InChIKey is LUKVRVUBRVIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-15-18-13-8-4-3-7-12(13)14(19-15)17-10-9-11-5-1-2-6-11/h3-5,7-8H,1-2,6,9-10H2,(H,17,18,19).
What are the key properties of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine?
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 114156958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).