N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine

C21H19N3O2S — CID 91964417

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H19N3O2S/c1-25-15-10-9-14(18(12-15)26-2)13-22-20-16-6-3-4-7-17(16)23-21(24-20)19-8-5-11-27-19/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeyNRWBRMBYFYENGB-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.99
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 91964417) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
PubChem CID91964417
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H19N3O2S/c1-25-15-10-9-14(18(12-15)26-2)13-22-20-16-6-3-4-7-17(16)23-21(24-20)19-8-5-11-27-19/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeyNRWBRMBYFYENGB-UHFFFAOYSA-N
XLogP4.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
N-[(2,4-dimethoxyphenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354956
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965180
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine (CID 91964417) is N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine is COc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is NRWBRMBYFYENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-25-15-10-9-14(18(12-15)26-2)13-22-20-16-6-3-4-7-17(16)23-21(24-20)19-8-5-11-27-19/h3-12H,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 91964417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).