2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one

C11H12ClN3O2 — CID 117263689

IUPAC2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)n1c(Cl)nc2cccc(O)c2c1=O
InChIInChI=1S/C11H12ClN3O2/c1-6(13-2)15-10(17)9-7(14-11(15)12)4-3-5-8(9)16/h3-6,13,16H,1-2H3
InChIKeyNHQSVQBUBDNUQR-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.49
Rot. Bonds2

About 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one

2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one (PubChem CID 117263689) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
PubChem CID117263689
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)n1c(Cl)nc2cccc(O)c2c1=O
InChIInChI=1S/C11H12ClN3O2/c1-6(13-2)15-10(17)9-7(14-11(15)12)4-3-5-8(9)16/h3-6,13,16H,1-2H3
InChIKeyNHQSVQBUBDNUQR-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117264397
2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 123933118
2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one
CID 117263627
8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117263297
3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one
CID 117264743
2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one
CID 91540274
2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264101
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117263269
5-chloro-2-[(1S)-1-(methylamino)ethyl]-3-piperazin-1-ylquinazolin-4-one
CID 155183311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one (CID 117263689) is 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one is CNC(C)n1c(Cl)nc2cccc(O)c2c1=O.
What is the InChIKey of 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is NHQSVQBUBDNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6(13-2)15-10(17)9-7(14-11(15)12)4-3-5-8(9)16/h3-6,13,16H,1-2H3.
What are the key properties of 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 253.69 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 117263689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).