6-nitro-4-phenyl-2-piperidin-1-ylquinazoline

C19H18N4O2 — CID 2893917

IUPAC6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C19H18N4O2/c24-23(25)15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)21-19(20-17)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyGZIBORCCDHDQKS-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.20
Rot. Bonds3

About 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline

6-nitro-4-phenyl-2-piperidin-1-ylquinazoline (PubChem CID 2893917) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
PubChem CID2893917
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C19H18N4O2/c24-23(25)15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)21-19(20-17)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyGZIBORCCDHDQKS-UHFFFAOYSA-N
XLogP4.20
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]azanium
CID 6964409
5-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoic acid
CID 4860866
1-(6-nitro-4-phenylquinazolin-2-yl)pyrrolidine-2-carboxylate
CID 4755551
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
6-nitro-2,3-di(piperidin-1-yl)quinoxaline
CID 4597717
2-(4-methylpiperazin-1-yl)-6-nitro-4-phenoxyquinazoline
CID 14614959
N-(4-nitrophenyl)-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine
CID 2956962
4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
CID 1115266
4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
CID 66493923
3-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 6426193
4-bromo-6-nitro-3-phenylcinnoline
CID 15194096

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline?
The IUPAC name of 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline (CID 2893917) is 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline?
The canonical SMILES for 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline is O=[N+]([O-])c1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline?
The InChIKey is GZIBORCCDHDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-23(25)15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)21-19(20-17)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline?
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline has a molecular weight of 334.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-phenyl-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 2893917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).