2-chloro-N-cyclododecylquinazolin-4-amine

C20H28ClN3 — CID 22692916

IUPAC2-chloro-N-cyclododecylquinazolin-4-amine
SMILESClc1nc(NC2CCCCCCCCCCC2)c2ccccc2n1
InChIInChI=1S/C20H28ClN3/c21-20-23-18-15-11-10-14-17(18)19(24-20)22-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H,22,23,24)
InChIKeyANUXQHCTMLDAIR-UHFFFAOYSA-N
MW345.92 g/mol
LogP6.37
Rot. Bonds2

About 2-chloro-N-cyclododecylquinazolin-4-amine

2-chloro-N-cyclododecylquinazolin-4-amine (PubChem CID 22692916) has the molecular formula C20H28ClN3 and a molecular weight of 345.92 g/mol. Its IUPAC name is 2-chloro-N-cyclododecylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclododecylquinazolin-4-amine
PubChem CID22692916
Molecular FormulaC20H28ClN3
Molecular Weight345.92 g/mol
Exact Mass345.20
IUPAC Name2-chloro-N-cyclododecylquinazolin-4-amine
SMILESClc1nc(NC2CCCCCCCCCCC2)c2ccccc2n1
InChIInChI=1S/C20H28ClN3/c21-20-23-18-15-11-10-14-17(18)19(24-20)22-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H,22,23,24)
InChIKeyANUXQHCTMLDAIR-UHFFFAOYSA-N
XLogP6.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.92
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-chloro-N-cyclohexyl-7-methylquinazolin-4-amine
CID 134109451
2-chloro-N-methylquinazolin-4-amine;methylcyclohexane
CID 142985930
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
CID 63833541
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
2,7-dichloro-N-cyclopropylquinazolin-4-amine
CID 114693120
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclododecylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-cyclododecylquinazolin-4-amine (CID 22692916) is 2-chloro-N-cyclododecylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclododecylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-cyclododecylquinazolin-4-amine is Clc1nc(NC2CCCCCCCCCCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-cyclododecylquinazolin-4-amine?
The InChIKey is ANUXQHCTMLDAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3/c21-20-23-18-15-11-10-14-17(18)19(24-20)22-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H,22,23,24).
What are the key properties of 2-chloro-N-cyclododecylquinazolin-4-amine?
2-chloro-N-cyclododecylquinazolin-4-amine has a molecular weight of 345.92 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclododecylquinazolin-4-amine is sourced from PubChem (CID 22692916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).