11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride

C25H28Cl2N4O2 — CID 24844986

IUPAC11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
SMILESCC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccncc4)cn3c(=O)c2c1.Cl.Cl
InChIInChI=1S/C25H26N4O2.2ClH/c1-17(2)19-6-8-22-21(15-19)25(31)29-16-20(7-9-23(29)28-22)24(30)27-12-4-3-5-18-10-13-26-14-11-18;;/h6-11,13-17H,3-5,12H2,1-2H3,(H,27,30);2*1H
InChIKeyOSMGXMMEEGDGPC-UHFFFAOYSA-N
MW487.43 g/mol
LogP4.96
Rot. Bonds7

About 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride

11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride (PubChem CID 24844986) has the molecular formula C25H28Cl2N4O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound Name11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
PubChem CID24844986
Molecular FormulaC25H28Cl2N4O2
Molecular Weight487.43 g/mol
Exact Mass486.16
IUPAC Name11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
SMILESCC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccncc4)cn3c(=O)c2c1.Cl.Cl
InChIInChI=1S/C25H26N4O2.2ClH/c1-17(2)19-6-8-22-21(15-19)25(31)29-16-20(7-9-23(29)28-22)24(30)27-12-4-3-5-18-10-13-26-14-11-18;;/h6-11,13-17H,3-5,12H2,1-2H3,(H,27,30);2*1H
InChIKeyOSMGXMMEEGDGPC-UHFFFAOYSA-N
XLogP4.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride with MolForge

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Related Compounds

CB30865
CID 135528987
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
2-(Pyridin-4-yl)quinazolin-4-ol
CID 135412668
2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide
CID 16048415
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1r)-1-(Pyridin-2-Yl)ethyl]propanamide
CID 135566762
2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 11612290
4-[(7-chloro-3-methyl-4-oxoquinazolin-6-yl)methyl-(3-methylbut-2-enyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 49855608

Frequently Asked Questions

What is the IUPAC name of 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
The IUPAC name of 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride (CID 24844986) is 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
The canonical SMILES for 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride is CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccncc4)cn3c(=O)c2c1.Cl.Cl.
What is the InChIKey of 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
The InChIKey is OSMGXMMEEGDGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2.2ClH/c1-17(2)19-6-8-22-21(15-19)25(31)29-16-20(7-9-23(29)28-22)24(30)27-12-4-3-5-18-10-13-26-14-11-18;;/h6-11,13-17H,3-5,12H2,1-2H3,(H,27,30);2*1H.
What are the key properties of 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride has a molecular weight of 487.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-2-propan-2-yl-N-(4-pyridin-4-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 24844986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).