1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea

C27H33N5O2 — CID 74953958

IUPAC1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
SMILESCOCCN1CCC(NC(=O)Nc2ccc3nc(NC4CCc5ccccc54)ccc3c2)CC1
InChIInChI=1S/C27H33N5O2/c1-34-17-16-32-14-12-21(13-15-32)28-27(33)29-22-8-10-24-20(18-22)7-11-26(30-24)31-25-9-6-19-4-2-3-5-23(19)25/h2-5,7-8,10-11,18,21,25H,6,9,12-17H2,1H3,(H,30,31)(H2,28,29,33)
InChIKeyCIBUMIJAUVOIEN-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.57
Rot. Bonds7

About 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea (PubChem CID 74953958) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
PubChem CID74953958
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
SMILESCOCCN1CCC(NC(=O)Nc2ccc3nc(NC4CCc5ccccc54)ccc3c2)CC1
InChIInChI=1S/C27H33N5O2/c1-34-17-16-32-14-12-21(13-15-32)28-27(33)29-22-8-10-24-20(18-22)7-11-26(30-24)31-25-9-6-19-4-2-3-5-23(19)25/h2-5,7-8,10-11,18,21,25H,6,9,12-17H2,1H3,(H,30,31)(H2,28,29,33)
InChIKeyCIBUMIJAUVOIEN-UHFFFAOYSA-N
XLogP4.57
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904
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-(3-methoxyphenyl)urea
CID 74953845
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-bicyclo[2.2.1]heptanyl)-3-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]urea
CID 74953841
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-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
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-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 74953644
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea (CID 74953958) is 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea is COCCN1CCC(NC(=O)Nc2ccc3nc(NC4CCc5ccccc54)ccc3c2)CC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
The InChIKey is CIBUMIJAUVOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-34-17-16-32-14-12-21(13-15-32)28-27(33)29-22-8-10-24-20(18-22)7-11-26(30-24)31-25-9-6-19-4-2-3-5-23(19)25/h2-5,7-8,10-11,18,21,25H,6,9,12-17H2,1H3,(H,30,31)(H2,28,29,33).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea has a molecular weight of 459.59 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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-[1-(2-methoxyethyl)piperidin-4-yl]urea is sourced from PubChem (CID 74953958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).