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

C26H24N4O2 — CID 74953845

IUPAC1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3nc(NC4CCc5ccccc54)ccc3c2)c1
InChIInChI=1S/C26H24N4O2/c1-32-21-7-4-6-19(16-21)27-26(31)28-20-11-13-23-18(15-20)10-14-25(29-23)30-24-12-9-17-5-2-3-8-22(17)24/h2-8,10-11,13-16,24H,9,12H2,1H3,(H,29,30)(H2,27,28,31)
InChIKeyXTXBHXBFRVLNMQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.99
Rot. Bonds5

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

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea (PubChem CID 74953845) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea
PubChem CID74953845
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3nc(NC4CCc5ccccc54)ccc3c2)c1
InChIInChI=1S/C26H24N4O2/c1-32-21-7-4-6-19(16-21)27-26(31)28-20-11-13-23-18(15-20)10-14-25(29-23)30-24-12-9-17-5-2-3-8-22(17)24/h2-8,10-11,13-16,24H,9,12H2,1H3,(H,29,30)(H2,27,28,31)
InChIKeyXTXBHXBFRVLNMQ-UHFFFAOYSA-N
XLogP5.99
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
CID 74953958
1-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]urea
CID 74953841
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-(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-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]-3-propan-2-ylurea
CID 68633602
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
CID 67096058
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
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74953808
2-imidazol-1-yl-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]acetamide
CID 68914894
6-(aminomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 68628477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea (CID 74953845) is 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc3nc(NC4CCc5ccccc54)ccc3c2)c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is XTXBHXBFRVLNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-21-7-4-6-19(16-21)27-26(31)28-20-11-13-23-18(15-20)10-14-25(29-23)30-24-12-9-17-5-2-3-8-22(17)24/h2-8,10-11,13-16,24H,9,12H2,1H3,(H,29,30)(H2,27,28,31).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea?
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 424.50 g/mol, XLogP of 5.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 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-(3-methoxyphenyl)urea is sourced from PubChem (CID 74953845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).