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

C14H18ClN3 — CID 114789856

IUPACN-(4-chloro-2-ethylbutyl)quinazolin-2-amine
SMILESCCC(CCCl)CNc1ncc2ccccc2n1
InChIInChI=1S/C14H18ClN3/c1-2-11(7-8-15)9-16-14-17-10-12-5-3-4-6-13(12)18-14/h3-6,10-11H,2,7-9H2,1H3,(H,16,17,18)
InChIKeyADPQGHZZZIMOPF-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.70
Rot. Bonds6

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

N-(4-chloro-2-ethylbutyl)quinazolin-2-amine (PubChem CID 114789856) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)quinazolin-2-amine
PubChem CID114789856
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-(4-chloro-2-ethylbutyl)quinazolin-2-amine
SMILESCCC(CCCl)CNc1ncc2ccccc2n1
InChIInChI=1S/C14H18ClN3/c1-2-11(7-8-15)9-16-14-17-10-12-5-3-4-6-13(12)18-14/h3-6,10-11H,2,7-9H2,1H3,(H,16,17,18)
InChIKeyADPQGHZZZIMOPF-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
N-(2-chloro-3-methoxypropyl)quinazolin-2-amine
CID 114789830
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
N-(1,2,4-benzotriazin-3-yl)-2-ethylbutane-1,4-diamine
CID 103205220
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-(3-butoxypropyl)quinazolin-2-amine
CID 114789297

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)quinazolin-2-amine?
The IUPAC name of N-(4-chloro-2-ethylbutyl)quinazolin-2-amine (CID 114789856) is N-(4-chloro-2-ethylbutyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)quinazolin-2-amine?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)quinazolin-2-amine is CCC(CCCl)CNc1ncc2ccccc2n1.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)quinazolin-2-amine?
The InChIKey is ADPQGHZZZIMOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-11(7-8-15)9-16-14-17-10-12-5-3-4-6-13(12)18-14/h3-6,10-11H,2,7-9H2,1H3,(H,16,17,18).
What are the key properties of N-(4-chloro-2-ethylbutyl)quinazolin-2-amine?
N-(4-chloro-2-ethylbutyl)quinazolin-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)quinazolin-2-amine is sourced from PubChem (CID 114789856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).