N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

C22H22N4O2 — CID 90644360

IUPACN-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESCC(CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C
InChIInChI=1S/C22H22N4O2/c1-14(25(2)3)13-23-21(27)17-9-6-10-26-20(17)24-19-12-16-8-5-4-7-15(16)11-18(19)22(26)28/h4-12,14H,13H2,1-3H3,(H,23,27)
InChIKeyDIHLEIRADLVBRW-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 90644360) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID90644360
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESCC(CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C
InChIInChI=1S/C22H22N4O2/c1-14(25(2)3)13-23-21(27)17-9-6-10-26-20(17)24-19-12-16-8-5-4-7-15(16)11-18(19)22(26)28/h4-12,14H,13H2,1-3H3,(H,23,27)
InChIKeyDIHLEIRADLVBRW-UHFFFAOYSA-N
XLogP2.68
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 90644360) is N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is CC(CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is DIHLEIRADLVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(25(2)3)13-23-21(27)17-9-6-10-26-20(17)24-19-12-16-8-5-4-7-15(16)11-18(19)22(26)28/h4-12,14H,13H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 90644360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).