4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide

C33H32FN7O2 — CID 11365211

IUPAC4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide
SMILESCc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)c2ccc3ccccc3n2)cc2cn[nH]c12
InChIInChI=1S/C33H32FN7O2/c1-20-15-21(16-24-18-35-39-30(20)24)17-29(28-10-9-22-5-2-3-8-27(22)36-28)37-32(42)40-13-11-25(12-14-40)41-19-23-6-4-7-26(34)31(23)38-33(41)43/h2-10,15-16,18,25,29H,11-14,17,19H2,1H3,(H,35,39)(H,37,42)(H,38,43)
InChIKeyHXUDMNSKAIPKIE-UHFFFAOYSA-N
MW577.66 g/mol
LogP6.06
Rot. Bonds5

About 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide

4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide (PubChem CID 11365211) has the molecular formula C33H32FN7O2 and a molecular weight of 577.66 g/mol. Its IUPAC name is 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide
PubChem CID11365211
Molecular FormulaC33H32FN7O2
Molecular Weight577.66 g/mol
Exact Mass577.26
IUPAC Name4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide
SMILESCc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)c2ccc3ccccc3n2)cc2cn[nH]c12
InChIInChI=1S/C33H32FN7O2/c1-20-15-21(16-24-18-35-39-30(20)24)17-29(28-10-9-22-5-2-3-8-27(22)36-28)37-32(42)40-13-11-25(12-14-40)41-19-23-6-4-7-26(34)31(23)38-33(41)43/h2-10,15-16,18,25,29H,11-14,17,19H2,1H3,(H,35,39)(H,37,42)(H,38,43)
InChIKeyHXUDMNSKAIPKIE-UHFFFAOYSA-N
XLogP6.06
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.66
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide (CID 11365211) is 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide is Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)c2ccc3ccccc3n2)cc2cn[nH]c12.
What is the InChIKey of 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide?
The InChIKey is HXUDMNSKAIPKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7O2/c1-20-15-21(16-24-18-35-39-30(20)24)17-29(28-10-9-22-5-2-3-8-27(22)36-28)37-32(42)40-13-11-25(12-14-40)41-19-23-6-4-7-26(34)31(23)38-33(41)43/h2-10,15-16,18,25,29H,11-14,17,19H2,1H3,(H,35,39)(H,37,42)(H,38,43).
What are the key properties of 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide?
4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide has a molecular weight of 577.66 g/mol, XLogP of 6.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 11365211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).