2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide

C23H26N4O2 — CID 70467134

IUPAC2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide
SMILESCC(C)c1ccc2ncn(C=C(CCCCc3cccnc3)C(N)=O)c(=O)c2c1
InChIInChI=1S/C23H26N4O2/c1-16(2)18-9-10-21-20(12-18)23(29)27(15-26-21)14-19(22(24)28)8-4-3-6-17-7-5-11-25-13-17/h5,7,9-16H,3-4,6,8H2,1-2H3,(H2,24,28)
InChIKeyAVNUQSWUHQTXEZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.65
Rot. Bonds8

About 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide

2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide (PubChem CID 70467134) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide.

Molecular Properties

Compound Name2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide
PubChem CID70467134
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide
SMILESCC(C)c1ccc2ncn(C=C(CCCCc3cccnc3)C(N)=O)c(=O)c2c1
InChIInChI=1S/C23H26N4O2/c1-16(2)18-9-10-21-20(12-18)23(29)27(15-26-21)14-19(22(24)28)8-4-3-6-17-7-5-11-25-13-17/h5,7,9-16H,3-4,6,8H2,1-2H3,(H2,24,28)
InChIKeyAVNUQSWUHQTXEZ-UHFFFAOYSA-N
XLogP3.65
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
CID 70492345
3-[3-(2-bromo-4-propan-2-ylphenoxy)propyl]pyridine
CID 642852
3-(4-oxo-6-propan-2-ylquinazolin-3-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 54371186
3-(4-oxo-6-propan-2-ylquinazolin-3-yl)-N-[3-(pyridin-2-ylamino)propyl]prop-2-enamide
CID 54060274
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(E)-N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxo-6-propan-2-ylquinazolin-3-yl)prop-2-enamide
CID 12881345
3-[2-(2-nitro-4-propan-2-ylphenyl)ethyl]pyridine
CID 160930845
3-pyridin-3-ylpropyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 124528117
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
3-(5-methylhexyl)pyridine
CID 54316004
3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine
CID 57285100
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide?
The IUPAC name of 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide (CID 70467134) is 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide.
What is the SMILES notation for 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide?
The canonical SMILES for 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide is CC(C)c1ccc2ncn(C=C(CCCCc3cccnc3)C(N)=O)c(=O)c2c1.
What is the InChIKey of 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide?
The InChIKey is AVNUQSWUHQTXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)18-9-10-21-20(12-18)23(29)27(15-26-21)14-19(22(24)28)8-4-3-6-17-7-5-11-25-13-17/h5,7,9-16H,3-4,6,8H2,1-2H3,(H2,24,28).
What are the key properties of 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide?
2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide has a molecular weight of 390.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide is sourced from PubChem (CID 70467134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).