methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate

C24H21N3O5 — CID 89468188

IUPACmethyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)nc(-c1ccc(OC)cc1)c1cc(NC(=O)OC)ccc12
InChIInChI=1S/C24H21N3O5/c1-30-17-8-4-14(5-9-17)22-20-12-15(25-23(28)31-2)6-10-18(20)19-11-7-16(13-21(19)27-22)26-24(29)32-3/h4-13H,1-3H3,(H,25,28)(H,26,29)
InChIKeyMFPOGTUHHQZGQI-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.42
Rot. Bonds4

About methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate

methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate (PubChem CID 89468188) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate
PubChem CID89468188
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Namemethyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)nc(-c1ccc(OC)cc1)c1cc(NC(=O)OC)ccc12
InChIInChI=1S/C24H21N3O5/c1-30-17-8-4-14(5-9-17)22-20-12-15(25-23(28)31-2)6-10-18(20)19-11-7-16(13-21(19)27-22)26-24(29)32-3/h4-13H,1-3H3,(H,25,28)(H,26,29)
InChIKeyMFPOGTUHHQZGQI-UHFFFAOYSA-N
XLogP5.42
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(4-methoxy-N-methylanilino)-2-methylquinazolin-6-yl]carbamate
CID 11508604
methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
CID 169421328
3-N,8-N-dimethyl-6-phenylphenanthridine-3,8-diamine
CID 21124518
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
1,3-bis(4-methoxyphenyl)urea
CID 139045428
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate?
The IUPAC name of methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate (CID 89468188) is methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate.
What is the SMILES notation for methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate?
The canonical SMILES for methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate is COC(=O)Nc1ccc2c(c1)nc(-c1ccc(OC)cc1)c1cc(NC(=O)OC)ccc12.
What is the InChIKey of methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate?
The InChIKey is MFPOGTUHHQZGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-30-17-8-4-14(5-9-17)22-20-12-15(25-23(28)31-2)6-10-18(20)19-11-7-16(13-21(19)27-22)26-24(29)32-3/h4-13H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate?
methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate has a molecular weight of 431.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate is sourced from PubChem (CID 89468188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).