4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide

C20H15ClN4O3 — CID 173306474

IUPAC4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(OCc3ccoc3)c(Cl)c2)c2ccccc2n1
InChIInChI=1S/C20H15ClN4O3/c21-15-9-13(5-6-17(15)28-11-12-7-8-27-10-12)23-19-14-3-1-2-4-16(14)24-20(25-19)18(22)26/h1-10H,11H2,(H2,22,26)(H,23,24,25)
InChIKeyKLZDIGWXQMTNFL-UHFFFAOYSA-N
MW394.82 g/mol
LogP4.30
Rot. Bonds6

About 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide

4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide (PubChem CID 173306474) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
PubChem CID173306474
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(OCc3ccoc3)c(Cl)c2)c2ccccc2n1
InChIInChI=1S/C20H15ClN4O3/c21-15-9-13(5-6-17(15)28-11-12-7-8-27-10-12)23-19-14-3-1-2-4-16(14)24-20(25-19)18(22)26/h1-10H,11H2,(H2,22,26)(H,23,24,25)
InChIKeyKLZDIGWXQMTNFL-UHFFFAOYSA-N
XLogP4.30
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
CID 90980287
4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 67600221
7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
CID 173085560
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
CID 172995354
methyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate
CID 25242463
1-[(2S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-2-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 90990457
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
CID 172995306
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 118364959

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide?
The IUPAC name of 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide (CID 173306474) is 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide is NC(=O)c1nc(Nc2ccc(OCc3ccoc3)c(Cl)c2)c2ccccc2n1.
What is the InChIKey of 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide?
The InChIKey is KLZDIGWXQMTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c21-15-9-13(5-6-17(15)28-11-12-7-8-27-10-12)23-19-14-3-1-2-4-16(14)24-20(25-19)18(22)26/h1-10H,11H2,(H2,22,26)(H,23,24,25).
What are the key properties of 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide?
4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide has a molecular weight of 394.82 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide is sourced from PubChem (CID 173306474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).