1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea

C30H29N5O3 — CID 141471155

IUPAC1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCOc1ccc(-c2nc(NC(=O)Nc3ccc(CN4CCOCC4)cc3)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C30H29N5O3/c1-37-23-12-8-21(9-13-23)28-29-25(24-4-2-3-5-26(24)32-29)18-27(33-28)34-30(36)31-22-10-6-20(7-11-22)19-35-14-16-38-17-15-35/h2-13,18,32H,14-17,19H2,1H3,(H2,31,33,34,36)
InChIKeyDLAZFGWPDUIOCF-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.87
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea

1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 141471155) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID141471155
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCOc1ccc(-c2nc(NC(=O)Nc3ccc(CN4CCOCC4)cc3)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C30H29N5O3/c1-37-23-12-8-21(9-13-23)28-29-25(24-4-2-3-5-26(24)32-29)18-27(33-28)34-30(36)31-22-10-6-20(7-11-22)19-35-14-16-38-17-15-35/h2-13,18,32H,14-17,19H2,1H3,(H2,31,33,34,36)
InChIKeyDLAZFGWPDUIOCF-UHFFFAOYSA-N
XLogP5.87
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-N-[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 170552898
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 112798004
N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 176904789
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
CID 30308724
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 979219
1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 69240065

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea (CID 141471155) is 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea is COc1ccc(-c2nc(NC(=O)Nc3ccc(CN4CCOCC4)cc3)cc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is DLAZFGWPDUIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-37-23-12-8-21(9-13-23)28-29-25(24-4-2-3-5-26(24)32-29)18-27(33-28)34-30(36)31-22-10-6-20(7-11-22)19-35-14-16-38-17-15-35/h2-13,18,32H,14-17,19H2,1H3,(H2,31,33,34,36).
What are the key properties of 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 507.59 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 141471155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).