2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine

C15H18ClN3O — CID 63833541

IUPAC2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
SMILESClc1nc(NCCOC2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H18ClN3O/c16-15-18-13-8-4-3-7-12(13)14(19-15)17-9-10-20-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18,19)
InChIKeyDTXRMUNLURMFOO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine

2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine (PubChem CID 63833541) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
PubChem CID63833541
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
SMILESClc1nc(NCCOC2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H18ClN3O/c16-15-18-13-8-4-3-7-12(13)14(19-15)17-9-10-20-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18,19)
InChIKeyDTXRMUNLURMFOO-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
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-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine
CID 62198078
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
N-(2-cyclopentyloxyethyl)quinolin-4-amine
CID 55261266
2-chloro-N-methylquinazolin-4-amine;methylcyclohexane
CID 142985930
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine (CID 63833541) is 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine is Clc1nc(NCCOC2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine?
The InChIKey is DTXRMUNLURMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-15-18-13-8-4-3-7-12(13)14(19-15)17-9-10-20-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18,19).
What are the key properties of 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine?
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine is sourced from PubChem (CID 63833541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).