N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide

C24H28N6O4 — CID 137143848

IUPACN-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide
SMILESCOc1c(OCC(O)CN2CCC2)ccc2c3n(/c(=N/C(=O)c4cccnc4C)nc12)CCN3
InChIInChI=1S/C24H28N6O4/c1-15-17(5-3-8-25-15)23(32)28-24-27-20-18(22-26-9-12-30(22)24)6-7-19(21(20)33-2)34-14-16(31)13-29-10-4-11-29/h3,5-8,16,26,31H,4,9-14H2,1-2H3/b28-24+
InChIKeyQEABZYHEOZTCBX-ZZIIXHQDSA-N
MW464.53 g/mol
LogP1.36
Rot. Bonds7

About N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide

N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide (PubChem CID 137143848) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide
PubChem CID137143848
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide
SMILESCOc1c(OCC(O)CN2CCC2)ccc2c3n(/c(=N/C(=O)c4cccnc4C)nc12)CCN3
InChIInChI=1S/C24H28N6O4/c1-15-17(5-3-8-25-15)23(32)28-24-27-20-18(22-26-9-12-30(22)24)6-7-19(21(20)33-2)34-14-16(31)13-29-10-4-11-29/h3,5-8,16,26,31H,4,9-14H2,1-2H3/b28-24+
InChIKeyQEABZYHEOZTCBX-ZZIIXHQDSA-N
XLogP1.36
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide with MolForge

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Related Compounds

1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
CID 137120327
2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
CID 136927873
2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
CID 136506131
1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
CID 137098214
N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide
CID 135871073
N-[7-methoxy-8-[2-(4-oxohept-5-enoylamino)ethoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
CID 137100727
6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
CID 135898528
[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl] 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate
CID 162740612
(4-piperazin-1-ylphenyl) 4-[3-[[5-(2-aminopyrimidine-5-carbonyl)imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]propyl]piperazine-1-carboxylate
CID 138718817
(E)-3-[[amino-(methylideneamino)methylidene]amino]-N-[8-[3-(2-hydroxyethylamino)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylprop-2-enamide
CID 138501403
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 175939831

Frequently Asked Questions

What is the IUPAC name of N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide (CID 137143848) is N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide is COc1c(OCC(O)CN2CCC2)ccc2c3n(/c(=N/C(=O)c4cccnc4C)nc12)CCN3.
What is the InChIKey of N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide?
The InChIKey is QEABZYHEOZTCBX-ZZIIXHQDSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15-17(5-3-8-25-15)23(32)28-24-27-20-18(22-26-9-12-30(22)24)6-7-19(21(20)33-2)34-14-16(31)13-29-10-4-11-29/h3,5-8,16,26,31H,4,9-14H2,1-2H3/b28-24+.
What are the key properties of N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide?
N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[3-(azetidin-1-yl)-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 137143848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).