4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide

C22H19N5O3 — CID 66763376

IUPAC4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C22H19N5O3/c1-13(14-4-2-5-16(10-14)27-22(29)15-8-9-30-11-15)26-21-18-7-3-6-17(20(23)28)19(18)24-12-25-21/h2-13H,1H3,(H2,23,28)(H,27,29)(H,24,25,26)
InChIKeyOIHRDLGLZDFHAD-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.75
Rot. Bonds6

About 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763376) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763376
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C22H19N5O3/c1-13(14-4-2-5-16(10-14)27-22(29)15-8-9-30-11-15)26-21-18-7-3-6-17(20(23)28)19(18)24-12-25-21/h2-13H,1H3,(H2,23,28)(H,27,29)(H,24,25,26)
InChIKeyOIHRDLGLZDFHAD-UHFFFAOYSA-N
XLogP3.75
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665400
6-(furan-3-yl)-N-phenylquinazolin-4-amine
CID 3232653
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
4-[(3-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762608
4-[(2-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762624
N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide
CID 72724708
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(2-methoxypyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869106
6-Methoxy-4-(2-methylamino-1-phenyl-ethylamino)-quinazoline-8-carboxylic acid amide
CID 46869311
4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869380
4-[[1-[3-[(4-Methoxybenzoyl)amino]phenyl]-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 46869579

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763376) is 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide is CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is OIHRDLGLZDFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13(14-4-2-5-16(10-14)27-22(29)15-8-9-30-11-15)26-21-18-7-3-6-17(20(23)28)19(18)24-12-25-21/h2-13H,1H3,(H2,23,28)(H,27,29)(H,24,25,26).
What are the key properties of 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(furan-3-carbonylamino)phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).