1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea

C25H22N4O — CID 74953904

IUPAC1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1
InChIInChI=1S/C25H22N4O/c30-25(26-19-7-2-1-3-8-19)27-20-12-14-22-18(16-20)11-15-24(28-22)29-23-13-10-17-6-4-5-9-21(17)23/h1-9,11-12,14-16,23H,10,13H2,(H,28,29)(H2,26,27,30)
InChIKeyHHXRQPWWPANWLX-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.98
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea (PubChem CID 74953904) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
PubChem CID74953904
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1
InChIInChI=1S/C25H22N4O/c30-25(26-19-7-2-1-3-8-19)27-20-12-14-22-18(16-20)11-15-24(28-22)29-23-13-10-17-6-4-5-9-21(17)23/h1-9,11-12,14-16,23H,10,13H2,(H,28,29)(H2,26,27,30)
InChIKeyHHXRQPWWPANWLX-UHFFFAOYSA-N
XLogP5.98
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea
CID 74953845
1-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]urea
CID 74953841
1-(9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]quinolin-6-yl]urea
CID 68632564
1-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]quinolin-6-yl]-3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)urea
CID 68631139
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
CID 74953958
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
3-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-methylurea
CID 74954519
6-(aminomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 68628477
1-[2-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]-3-propan-2-ylurea
CID 68633602
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine
CID 68629723
(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone
CID 77225077
5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016238

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea (CID 74953904) is 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea?
The InChIKey is HHXRQPWWPANWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(26-19-7-2-1-3-8-19)27-20-12-14-22-18(16-20)11-15-24(28-22)29-23-13-10-17-6-4-5-9-21(17)23/h1-9,11-12,14-16,23H,10,13H2,(H,28,29)(H2,26,27,30).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea?
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea has a molecular weight of 394.48 g/mol, XLogP of 5.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea is sourced from PubChem (CID 74953904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).