[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium

C21H25ClN3O+ — CID 7201809

IUPAC[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
SMILESCCCCC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-3-4-7-14-23-15(2)20-24-19-9-6-5-8-18(19)21(26)25(20)17-12-10-16(22)11-13-17/h5-6,8-13,15,23H,3-4,7,14H2,1-2H3/p+1/t15-/m1/s1
InChIKeyUCDXNCYDYBCKQT-OAHLLOKOSA-O
MW370.90 g/mol
LogP3.85
Rot. Bonds7

About [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium

[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium (PubChem CID 7201809) has the molecular formula C21H25ClN3O+ and a molecular weight of 370.90 g/mol. Its IUPAC name is [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium.

Molecular Properties

Compound Name[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
PubChem CID7201809
Molecular FormulaC21H25ClN3O+
Molecular Weight370.90 g/mol
Exact Mass370.17
IUPAC Name[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
SMILESCCCCC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-3-4-7-14-23-15(2)20-24-19-9-6-5-8-18(19)21(26)25(20)17-12-10-16(22)11-13-17/h5-6,8-13,15,23H,3-4,7,14H2,1-2H3/p+1/t15-/m1/s1
InChIKeyUCDXNCYDYBCKQT-OAHLLOKOSA-O
XLogP3.85
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
CID 7201737
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
CID 1052024
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715740
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)nonanamide
CID 42727899
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium?
The IUPAC name of [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium (CID 7201809) is [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium.
What is the SMILES notation for [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium?
The canonical SMILES for [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium is CCCCC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium?
The InChIKey is UCDXNCYDYBCKQT-OAHLLOKOSA-O. The full InChI is InChI=1S/C21H24ClN3O/c1-3-4-7-14-23-15(2)20-24-19-9-6-5-8-18(19)21(26)25(20)17-12-10-16(22)11-13-17/h5-6,8-13,15,23H,3-4,7,14H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium?
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium has a molecular weight of 370.90 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium is sourced from PubChem (CID 7201809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).