1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C30H28N4O5 — CID 121361489

IUPAC1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4cc5c(n([C@@H](C)C6CC6)c4=O)CCCC5=O)nc3)ccnc2c1
InChIInChI=1S/C30H28N4O5/c1-17(18-6-7-18)34-25-4-3-5-26(35)22(25)15-23(30(34)37)29(36)33-28-11-9-20(16-32-28)39-27-12-13-31-24-14-19(38-2)8-10-21(24)27/h8-18H,3-7H2,1-2H3,(H,32,33,36)/t17-/m0/s1
InChIKeyZCODMVDMUXAVLR-KRWDZBQOSA-N
MW524.58 g/mol
LogP5.33
Rot. Bonds7

About 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 121361489) has the molecular formula C30H28N4O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID121361489
Molecular FormulaC30H28N4O5
Molecular Weight524.58 g/mol
Exact Mass524.21
IUPAC Name1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4cc5c(n([C@@H](C)C6CC6)c4=O)CCCC5=O)nc3)ccnc2c1
InChIInChI=1S/C30H28N4O5/c1-17(18-6-7-18)34-25-4-3-5-26(35)22(25)15-23(30(34)37)29(36)33-28-11-9-20(16-32-28)39-27-12-13-31-24-14-19(38-2)8-10-21(24)27/h8-18H,3-7H2,1-2H3,(H,32,33,36)/t17-/m0/s1
InChIKeyZCODMVDMUXAVLR-KRWDZBQOSA-N
XLogP5.33
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 121361489) is 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)c4cc5c(n([C@@H](C)C6CC6)c4=O)CCCC5=O)nc3)ccnc2c1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is ZCODMVDMUXAVLR-KRWDZBQOSA-N. The full InChI is InChI=1S/C30H28N4O5/c1-17(18-6-7-18)34-25-4-3-5-26(35)22(25)15-23(30(34)37)29(36)33-28-11-9-20(16-32-28)39-27-12-13-31-24-14-19(38-2)8-10-21(24)27/h8-18H,3-7H2,1-2H3,(H,32,33,36)/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 121361489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).