2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C14H12ClN3OS — CID 171562026

IUPAC2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc2c(NCc3cccs3)nc(Cl)nc12
InChIInChI=1S/C14H12ClN3OS/c1-19-11-6-2-5-10-12(11)17-14(15)18-13(10)16-8-9-4-3-7-20-9/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyQAOYIIZRYLVJKY-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 171562026) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID171562026
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc2c(NCc3cccs3)nc(Cl)nc12
InChIInChI=1S/C14H12ClN3OS/c1-19-11-6-2-5-10-12(11)17-14(15)18-13(10)16-8-9-4-3-7-20-9/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyQAOYIIZRYLVJKY-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171561839
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
CID 90259926
5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 171561883
6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865848
2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 171561891
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 171562026) is 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1cccc2c(NCc3cccs3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is QAOYIIZRYLVJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-19-11-6-2-5-10-12(11)17-14(15)18-13(10)16-8-9-4-3-7-20-9/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 171562026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).