N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide

C21H20N4O5 — CID 166280695

IUPACN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(=O)[nH]cnc3c2)cc1OCC(=O)NC1CC1
InChIInChI=1S/C21H20N4O5/c1-29-17-7-5-14(9-18(17)30-10-19(26)24-13-3-4-13)25-20(27)12-2-6-15-16(8-12)22-11-23-21(15)28/h2,5-9,11,13H,3-4,10H2,1H3,(H,24,26)(H,25,27)(H,22,23,28)
InChIKeyYJUMHBKYSBVUPE-UHFFFAOYSA-N
MW408.41 g/mol
LogP1.84
Rot. Bonds7

About N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 166280695) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID166280695
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(=O)[nH]cnc3c2)cc1OCC(=O)NC1CC1
InChIInChI=1S/C21H20N4O5/c1-29-17-7-5-14(9-18(17)30-10-19(26)24-13-3-4-13)25-20(27)12-2-6-15-16(8-12)22-11-23-21(15)28/h2,5-9,11,13H,3-4,10H2,1H3,(H,24,26)(H,25,27)(H,22,23,28)
InChIKeyYJUMHBKYSBVUPE-UHFFFAOYSA-N
XLogP1.84
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166195856
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
CID 119717548
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786885
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
CID 119717546
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide (CID 166280695) is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide is COc1ccc(NC(=O)c2ccc3c(=O)[nH]cnc3c2)cc1OCC(=O)NC1CC1.
What is the InChIKey of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is YJUMHBKYSBVUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-29-17-7-5-14(9-18(17)30-10-19(26)24-13-3-4-13)25-20(27)12-2-6-15-16(8-12)22-11-23-21(15)28/h2,5-9,11,13H,3-4,10H2,1H3,(H,24,26)(H,25,27)(H,22,23,28).
What are the key properties of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide?
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 166280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).