7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one

C19H18ClN3OS — CID 135626204

IUPAC7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCc3sccc3[C@H]2C2CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C19H18ClN3OS/c20-12-3-4-13-15(9-12)21-17(22-19(13)24)10-23-7-5-16-14(6-8-25-16)18(23)11-1-2-11/h3-4,6,8-9,11,18H,1-2,5,7,10H2,(H,21,22,24)/t18-/m1/s1
InChIKeyIMMNSFCAVNMYDD-GOSISDBHSA-N
MW371.89 g/mol
LogP4.15
Rot. Bonds3

About 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one

7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one (PubChem CID 135626204) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
PubChem CID135626204
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCc3sccc3[C@H]2C2CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C19H18ClN3OS/c20-12-3-4-13-15(9-12)21-17(22-19(13)24)10-23-7-5-16-14(6-8-25-16)18(23)11-1-2-11/h3-4,6,8-9,11,18H,1-2,5,7,10H2,(H,21,22,24)/t18-/m1/s1
InChIKeyIMMNSFCAVNMYDD-GOSISDBHSA-N
XLogP4.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751556
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751566
2-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751568
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135751570
methyl 4-oxo-2-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazoline-7-carboxylate
CID 135925785
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
7-chloro-2-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3H-quinazolin-4-one
CID 135912892
7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136749351
6-chloro-2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136688095
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one
CID 9002494
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001948

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one (CID 135626204) is 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one is O=c1[nH]c(CN2CCc3sccc3[C@H]2C2CC2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is IMMNSFCAVNMYDD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-12-3-4-13-15(9-12)21-17(22-19(13)24)10-23-7-5-16-14(6-8-25-16)18(23)11-1-2-11/h3-4,6,8-9,11,18H,1-2,5,7,10H2,(H,21,22,24)/t18-/m1/s1.
What are the key properties of 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 371.89 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135626204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).