N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide

C32H24N4O4 — CID 10839903

IUPACN-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O
InChIInChI=1S/C32H24N4O4/c1-40-21-7-8-22-23(13-21)32-15-19(32)16-36(29(32)14-28(22)37)31(39)27-12-18-10-20(6-9-25(18)35-27)33-30(38)26-11-17-4-2-3-5-24(17)34-26/h2-14,19,34-35H,15-16H2,1H3,(H,33,38)/t19-,32-/m1/s1
InChIKeyZNGRWFWWYDWHBL-AYLZSAKASA-N
MW528.57 g/mol
LogP5.40
Rot. Bonds4

About N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide

N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide (PubChem CID 10839903) has the molecular formula C32H24N4O4 and a molecular weight of 528.57 g/mol. Its IUPAC name is N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide
PubChem CID10839903
Molecular FormulaC32H24N4O4
Molecular Weight528.57 g/mol
Exact Mass528.18
IUPAC NameN-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O
InChIInChI=1S/C32H24N4O4/c1-40-21-7-8-22-23(13-21)32-15-19(32)16-36(29(32)14-28(22)37)31(39)27-12-18-10-20(6-9-25(18)35-27)33-30(38)26-11-17-4-2-3-5-24(17)34-26/h2-14,19,34-35H,15-16H2,1H3,(H,33,38)/t19-,32-/m1/s1
InChIKeyZNGRWFWWYDWHBL-AYLZSAKASA-N
XLogP5.40
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.57
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide (CID 10839903) is N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide is COc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O.
What is the InChIKey of N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is ZNGRWFWWYDWHBL-AYLZSAKASA-N. The full InChI is InChI=1S/C32H24N4O4/c1-40-21-7-8-22-23(13-21)32-15-19(32)16-36(29(32)14-28(22)37)31(39)27-12-18-10-20(6-9-25(18)35-27)33-30(38)26-11-17-4-2-3-5-24(17)34-26/h2-14,19,34-35H,15-16H2,1H3,(H,33,38)/t19-,32-/m1/s1.
What are the key properties of N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide?
N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 528.57 g/mol, XLogP of 5.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,13S)-4-methoxy-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-11-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10839903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).