3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide

C23H22N4O2 — CID 135639778

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H22N4O2/c28-21(13-12-20-24-18-10-4-2-7-16(18)23(29)27-20)25-19-11-5-8-15-14-6-1-3-9-17(14)26-22(15)19/h1-4,6-7,9-10,19,26H,5,8,11-13H2,(H,25,28)(H,24,27,29)
InChIKeyILZRXZZICIFZLT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.53
Rot. Bonds4

About 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide (PubChem CID 135639778) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
PubChem CID135639778
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H22N4O2/c28-21(13-12-20-24-18-10-4-2-7-16(18)23(29)27-20)25-19-11-5-8-15-14-6-1-3-9-17(14)26-22(15)19/h1-4,6-7,9-10,19,26H,5,8,11-13H2,(H,25,28)(H,24,27,29)
InChIKeyILZRXZZICIFZLT-UHFFFAOYSA-N
XLogP3.53
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711278
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135739396
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 110205202
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
CID 125431910
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 75492025
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570315
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782885

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide (CID 135639778) is 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide?
The InChIKey is ILZRXZZICIFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-21(13-12-20-24-18-10-4-2-7-16(18)23(29)27-20)25-19-11-5-8-15-14-6-1-3-9-17(14)26-22(15)19/h1-4,6-7,9-10,19,26H,5,8,11-13H2,(H,25,28)(H,24,27,29).
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide has a molecular weight of 386.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide is sourced from PubChem (CID 135639778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).