2-chloro-N-(3-methoxypropyl)quinazolin-4-amine

C12H14ClN3O — CID 22692600

IUPAC2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
SMILESCOCCCNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H14ClN3O/c1-17-8-4-7-14-11-9-5-2-3-6-10(9)15-12(13)16-11/h2-3,5-6H,4,7-8H2,1H3,(H,14,15,16)
InChIKeyGZCAMDOVFBECFQ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.73
Rot. Bonds5

About 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine

2-chloro-N-(3-methoxypropyl)quinazolin-4-amine (PubChem CID 22692600) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
PubChem CID22692600
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
SMILESCOCCCNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H14ClN3O/c1-17-8-4-7-14-11-9-5-2-3-6-10(9)15-12(13)16-11/h2-3,5-6H,4,7-8H2,1H3,(H,14,15,16)
InChIKeyGZCAMDOVFBECFQ-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine (CID 22692600) is 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine is COCCCNc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine?
The InChIKey is GZCAMDOVFBECFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-8-4-7-14-11-9-5-2-3-6-10(9)15-12(13)16-11/h2-3,5-6H,4,7-8H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(3-methoxypropyl)quinazolin-4-amine?
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.73, 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-methoxypropyl)quinazolin-4-amine is sourced from PubChem (CID 22692600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).