5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

C24H19ClN6O4 — CID 10289029

IUPAC5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C24H19ClN6O4/c25-15-5-6-16-14(9-15)11-17(27-16)22(33)28-18-10-13-3-1-2-4-19(13)31(23(18)34)12-21(32)29-20-7-8-26-24(35)30-20/h1-9,11,18,27H,10,12H2,(H,28,33)(H2,26,29,30,32,35)
InChIKeyWNCVFAOWUQFHRJ-UHFFFAOYSA-N
MW490.91 g/mol
LogP2.23
Rot. Bonds5

About 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10289029) has the molecular formula C24H19ClN6O4 and a molecular weight of 490.91 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10289029
Molecular FormulaC24H19ClN6O4
Molecular Weight490.91 g/mol
Exact Mass490.12
IUPAC Name5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C24H19ClN6O4/c25-15-5-6-16-14(9-15)11-17(27-16)22(33)28-18-10-13-3-1-2-4-19(13)31(23(18)34)12-21(32)29-20-7-8-26-24(35)30-20/h1-9,11,18,27H,10,12H2,(H,28,33)(H2,26,29,30,32,35)
InChIKeyWNCVFAOWUQFHRJ-UHFFFAOYSA-N
XLogP2.23
TPSA140.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.91
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10289029) is 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccnc(=O)[nH]1.
What is the InChIKey of 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is WNCVFAOWUQFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O4/c25-15-5-6-16-14(9-15)11-17(27-16)22(33)28-18-10-13-3-1-2-4-19(13)31(23(18)34)12-21(32)29-20-7-8-26-24(35)30-20/h1-9,11,18,27H,10,12H2,(H,28,33)(H2,26,29,30,32,35).
What are the key properties of 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 490.91 g/mol, XLogP of 2.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10289029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).