methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate

C19H13ClN4O2S — CID 71274429

IUPACmethyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H13ClN4O2S/c1-26-19(25)13-6-8-27-18(13)24-17-14-9-12(20)4-5-15(14)22-16(23-17)11-3-2-7-21-10-11/h2-10H,1H3,(H,22,23,24)
InChIKeyFAWJYCODTZENPQ-UHFFFAOYSA-N
MW396.86 g/mol
LogP4.94
Rot. Bonds4

About methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate

methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate (PubChem CID 71274429) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate
PubChem CID71274429
Molecular FormulaC19H13ClN4O2S
Molecular Weight396.86 g/mol
Exact Mass396.04
IUPAC Namemethyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H13ClN4O2S/c1-26-19(25)13-6-8-27-18(13)24-17-14-9-12(20)4-5-15(14)22-16(23-17)11-3-2-7-21-10-11/h2-10H,1H3,(H,22,23,24)
InChIKeyFAWJYCODTZENPQ-UHFFFAOYSA-N
XLogP4.94
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
CID 71181047
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylcyclohepta-1,3,5,6-tetraen-1-ol
CID 135127890
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
CID 71181121
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 135127846
6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
CID 144500921
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
4-(3-chloro-4-fluoroanilino)-N-(2,2-dimethoxyethyl)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 89347895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate (CID 71274429) is methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate?
The InChIKey is FAWJYCODTZENPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c1-26-19(25)13-6-8-27-18(13)24-17-14-9-12(20)4-5-15(14)22-16(23-17)11-3-2-7-21-10-11/h2-10H,1H3,(H,22,23,24).
What are the key properties of methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate?
methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate has a molecular weight of 396.86 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 71274429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).