1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

C24H22FN5O — CID 11611379

IUPAC1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C24H22FN5O/c25-17-9-10-23-18(13-17)21(11-12-30(23)15-16-5-2-1-3-6-16)28-24(31)27-20-7-4-8-22-19(20)14-26-29-22/h1-10,13-14,21H,11-12,15H2,(H,26,29)(H2,27,28,31)
InChIKeyFCWIBYQHRCBDSA-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.98
Rot. Bonds4

About 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11611379) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11611379
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C24H22FN5O/c25-17-9-10-23-18(13-17)21(11-12-30(23)15-16-5-2-1-3-6-16)28-24(31)27-20-7-4-8-22-19(20)14-26-29-22/h1-10,13-14,21H,11-12,15H2,(H,26,29)(H2,27,28,31)
InChIKeyFCWIBYQHRCBDSA-UHFFFAOYSA-N
XLogP4.98
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (CID 11611379) is 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2ccccc2)c2ccc(F)cc21.
What is the InChIKey of 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is FCWIBYQHRCBDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-17-9-10-23-18(13-17)21(11-12-30(23)15-16-5-2-1-3-6-16)28-24(31)27-20-7-4-8-22-19(20)14-26-29-22/h1-10,13-14,21H,11-12,15H2,(H,26,29)(H2,27,28,31).
What are the key properties of 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 415.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-fluoro-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11611379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).