N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide

C20H25N5OS — CID 42886947

IUPACN-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
SMILESCc1nc2c3ccccc3nc(SC(C)C(=O)NC3CCCCCC3)n2n1
InChIInChI=1S/C20H25N5OS/c1-13(19(26)22-15-9-5-3-4-6-10-15)27-20-23-17-12-8-7-11-16(17)18-21-14(2)24-25(18)20/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,22,26)
InChIKeyWGEOJAUVIPHFIU-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.91
Rot. Bonds4

About N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide

N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide (PubChem CID 42886947) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
PubChem CID42886947
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC NameN-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
SMILESCc1nc2c3ccccc3nc(SC(C)C(=O)NC3CCCCCC3)n2n1
InChIInChI=1S/C20H25N5OS/c1-13(19(26)22-15-9-5-3-4-6-10-15)27-20-23-17-12-8-7-11-16(17)18-21-14(2)24-25(18)20/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,22,26)
InChIKeyWGEOJAUVIPHFIU-UHFFFAOYSA-N
XLogP3.91
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide with MolForge

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Related Compounds

N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
(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
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 75834916
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
N,N-diethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 134038533
(2S)-N-cyclopentyl-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7501251
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
(2S)-N-cyclopentyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631822
N-cyclopentyl-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3918372
methyl 2-[2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647638

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
The IUPAC name of N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide (CID 42886947) is N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
The canonical SMILES for N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide is Cc1nc2c3ccccc3nc(SC(C)C(=O)NC3CCCCCC3)n2n1.
What is the InChIKey of N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
The InChIKey is WGEOJAUVIPHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-13(19(26)22-15-9-5-3-4-6-10-15)27-20-23-17-12-8-7-11-16(17)18-21-14(2)24-25(18)20/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide?
N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide has a molecular weight of 383.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide is sourced from PubChem (CID 42886947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).