N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine

C19H15N3OS — CID 2446351

IUPACN-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C19H15N3OS/c1-23-14-7-4-6-13(12-14)20-18-15-8-2-3-9-16(15)21-19(22-18)17-10-5-11-24-17/h2-12H,1H3,(H,20,21,22)
InChIKeyZSELRZSGXAOTPN-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.11
Rot. Bonds4

About N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine

N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 2446351) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID2446351
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C19H15N3OS/c1-23-14-7-4-6-13(12-14)20-18-15-8-2-3-9-16(15)21-19(22-18)17-10-5-11-24-17/h2-12H,1H3,(H,20,21,22)
InChIKeyZSELRZSGXAOTPN-UHFFFAOYSA-N
XLogP5.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

As-602868
CID 9820526
Bay-293
CID 137322663
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 9927967
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442095
N-(4-methoxyphenyl)-2-(thiophen-2-yl)quinazolin-4-amine
CID 2473040
(6,7-Diethoxy-2-methyl-quinazolin-4-yl)-[3-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10194617
N*2*-(4-Methoxy-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10474673
(1S,3S)-N1-(6-fluoro-4-methoxyquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 11165058
2-Chloro-N-(3-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11277975
5-(Thiophen-2-ylmethoxy)quinazoline-2,4-diamine
CID 11680623

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine (CID 2446351) is N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine is COc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is ZSELRZSGXAOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-23-14-7-4-6-13(12-14)20-18-15-8-2-3-9-16(15)21-19(22-18)17-10-5-11-24-17/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 2446351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).