[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium

C15H21ClN3O2+ — CID 7144752

IUPAC[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
SMILESCCn1c([C@H](C)[NH2+]CCOC)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H20ClN3O2/c1-4-19-14(10(2)17-7-8-21-3)18-13-9-11(16)5-6-12(13)15(19)20/h5-6,9-10,17H,4,7-8H2,1-3H3/p+1/t10-/m0/s1
InChIKeyBNACCCLQUCLGQV-JTQLQIEISA-O
MW310.81 g/mol
LogP1.34
Rot. Bonds6

About [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium

[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium (PubChem CID 7144752) has the molecular formula C15H21ClN3O2+ and a molecular weight of 310.81 g/mol. Its IUPAC name is [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
PubChem CID7144752
Molecular FormulaC15H21ClN3O2+
Molecular Weight310.81 g/mol
Exact Mass310.13
IUPAC Name[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
SMILESCCn1c([C@H](C)[NH2+]CCOC)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H20ClN3O2/c1-4-19-14(10(2)17-7-8-21-3)18-13-9-11(16)5-6-12(13)15(19)20/h5-6,9-10,17H,4,7-8H2,1-3H3/p+1/t10-/m0/s1
InChIKeyBNACCCLQUCLGQV-JTQLQIEISA-O
XLogP1.34
TPSA60.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7202114
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
CID 42712390
7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
CID 7361055
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
CID 7493092
7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
CID 7415245
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
CID 42712900
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 42714597
[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium
CID 7202025
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium?
The IUPAC name of [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium (CID 7144752) is [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium.
What is the SMILES notation for [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium?
The canonical SMILES for [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium is CCn1c([C@H](C)[NH2+]CCOC)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium?
The InChIKey is BNACCCLQUCLGQV-JTQLQIEISA-O. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-19-14(10(2)17-7-8-21-3)18-13-9-11(16)5-6-12(13)15(19)20/h5-6,9-10,17H,4,7-8H2,1-3H3/p+1/t10-/m0/s1.
What are the key properties of [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium?
[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium has a molecular weight of 310.81 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium is sourced from PubChem (CID 7144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).