N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C28H26N4O2S — CID 42977783

IUPACN-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCCn1c2ccccc2c2cc(-n3c(SC(C)C(=O)NC4CC4)nc4ccccc4c3=O)ccc21
InChIInChI=1S/C28H26N4O2S/c1-3-31-24-11-7-5-8-20(24)22-16-19(14-15-25(22)31)32-27(34)21-9-4-6-10-23(21)30-28(32)35-17(2)26(33)29-18-12-13-18/h4-11,14-18H,3,12-13H2,1-2H3,(H,29,33)
InChIKeyROTSJTGFQZFWKD-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.27
Rot. Bonds6

About N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 42977783) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID42977783
Molecular FormulaC28H26N4O2S
Molecular Weight482.61 g/mol
Exact Mass482.18
IUPAC NameN-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCCn1c2ccccc2c2cc(-n3c(SC(C)C(=O)NC4CC4)nc4ccccc4c3=O)ccc21
InChIInChI=1S/C28H26N4O2S/c1-3-31-24-11-7-5-8-20(24)22-16-19(14-15-25(22)31)32-27(34)21-9-4-6-10-23(21)30-28(32)35-17(2)26(33)29-18-12-13-18/h4-11,14-18H,3,12-13H2,1-2H3,(H,29,33)
InChIKeyROTSJTGFQZFWKD-UHFFFAOYSA-N
XLogP5.27
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
(2S)-N-cyclopentyl-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631681
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3949503
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-N-cyclopentyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631950
2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 30436234
N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide
CID 42735167
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7246705
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 42977783) is N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is CCn1c2ccccc2c2cc(-n3c(SC(C)C(=O)NC4CC4)nc4ccccc4c3=O)ccc21.
What is the InChIKey of N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is ROTSJTGFQZFWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-3-31-24-11-7-5-8-20(24)22-16-19(14-15-25(22)31)32-27(34)21-9-4-6-10-23(21)30-28(32)35-17(2)26(33)29-18-12-13-18/h4-11,14-18H,3,12-13H2,1-2H3,(H,29,33).
What are the key properties of N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 482.61 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 42977783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).