7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one

C19H20ClN3O2 — CID 135952239

IUPAC7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1
InChIInChI=1S/C19H20ClN3O2/c1-11-7-15(11)17-6-4-13(25-17)9-23(2)10-18-21-16-8-12(20)3-5-14(16)19(24)22-18/h3-6,8,11,15H,7,9-10H2,1-2H3,(H,21,22,24)/t11-,15-/m0/s1
InChIKeySPPSQHPLELOSTR-NHYWBVRUSA-N
MW357.84 g/mol
LogP3.92
Rot. Bonds5

About 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135952239) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135952239
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
SMILESC[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1
InChIInChI=1S/C19H20ClN3O2/c1-11-7-15(11)17-6-4-13(25-17)9-23(2)10-18-21-16-8-12(20)3-5-14(16)19(24)22-18/h3-6,8,11,15H,7,9-10H2,1-2H3,(H,21,22,24)/t11-,15-/m0/s1
InChIKeySPPSQHPLELOSTR-NHYWBVRUSA-N
XLogP3.92
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135722541
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
2-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55682605
7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
CID 137287755
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94474507
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 156870467
7-chloro-2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135811823
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
7-chloro-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-quinazolin-4-one
CID 137001388
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one (CID 135952239) is 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one is C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1.
What is the InChIKey of 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is SPPSQHPLELOSTR-NHYWBVRUSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-11-7-15(11)17-6-4-13(25-17)9-23(2)10-18-21-16-8-12(20)3-5-14(16)19(24)22-18/h3-6,8,11,15H,7,9-10H2,1-2H3,(H,21,22,24)/t11-,15-/m0/s1.
What are the key properties of 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 357.84 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135952239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).