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

C12H14ClN3O — CID 114789830

IUPACN-(2-chloro-3-methoxypropyl)quinazolin-2-amine
SMILESCOCC(Cl)CNc1ncc2ccccc2n1
InChIInChI=1S/C12H14ClN3O/c1-17-8-10(13)7-15-12-14-6-9-4-2-3-5-11(9)16-12/h2-6,10H,7-8H2,1H3,(H,14,15,16)
InChIKeyBJDNFCMMFLKQAO-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.30
Rot. Bonds5

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

N-(2-chloro-3-methoxypropyl)quinazolin-2-amine (PubChem CID 114789830) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)quinazolin-2-amine
PubChem CID114789830
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-(2-chloro-3-methoxypropyl)quinazolin-2-amine
SMILESCOCC(Cl)CNc1ncc2ccccc2n1
InChIInChI=1S/C12H14ClN3O/c1-17-8-10(13)7-15-12-14-6-9-4-2-3-5-11(9)16-12/h2-6,10H,7-8H2,1H3,(H,14,15,16)
InChIKeyBJDNFCMMFLKQAO-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
N-(4-chloro-2-ethylbutyl)quinazolin-2-amine
CID 114789856
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
4-methoxy-3-N-quinazolin-2-ylbutane-1,3-diamine
CID 106154707
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-(2-chloro-3-methoxypropyl)-3,6-dimethylpyrazin-2-amine
CID 65027505
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)quinazolin-2-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)quinazolin-2-amine (CID 114789830) is N-(2-chloro-3-methoxypropyl)quinazolin-2-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)quinazolin-2-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)quinazolin-2-amine is COCC(Cl)CNc1ncc2ccccc2n1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)quinazolin-2-amine?
The InChIKey is BJDNFCMMFLKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-8-10(13)7-15-12-14-6-9-4-2-3-5-11(9)16-12/h2-6,10H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-(2-chloro-3-methoxypropyl)quinazolin-2-amine?
N-(2-chloro-3-methoxypropyl)quinazolin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)quinazolin-2-amine is sourced from PubChem (CID 114789830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).