1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol

C17H23N5O3 — CID 137120327

IUPAC1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
SMILES[H]/N=c1\nc2c(OC)c(OCC(O)CN3CCC3)ccc2c2n1CCN2
InChIInChI=1S/C17H23N5O3/c1-24-15-13(25-10-11(23)9-21-6-2-7-21)4-3-12-14(15)20-17(18)22-8-5-19-16(12)22/h3-4,11,18-19,23H,2,5-10H2,1H3/b18-17+
InChIKeyFCXGMJIGBVZSPE-ISLYRVAYSA-N
MW345.40 g/mol
LogP0.40
Rot. Bonds6

About 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol

1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol (PubChem CID 137120327) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
PubChem CID137120327
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
SMILES[H]/N=c1\nc2c(OC)c(OCC(O)CN3CCC3)ccc2c2n1CCN2
InChIInChI=1S/C17H23N5O3/c1-24-15-13(25-10-11(23)9-21-6-2-7-21)4-3-12-14(15)20-17(18)22-8-5-19-16(12)22/h3-4,11,18-19,23H,2,5-10H2,1H3/b18-17+
InChIKeyFCXGMJIGBVZSPE-ISLYRVAYSA-N
XLogP0.40
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-[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
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
4-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456669
4-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456679
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,4-diazepan-5-one
CID 110882982
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 12902639
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide
CID 135871073

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?
The IUPAC name of 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) is 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol is [H]/N=c1\nc2c(OC)c(OCC(O)CN3CCC3)ccc2c2n1CCN2.
What is the InChIKey of 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?
The InChIKey is FCXGMJIGBVZSPE-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-15-13(25-10-11(23)9-21-6-2-7-21)4-3-12-14(15)20-17(18)22-8-5-19-16(12)22/h3-4,11,18-19,23H,2,5-10H2,1H3/b18-17+.
What are the key properties of 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?
1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol has a molecular weight of 345.40 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol is sourced from PubChem (CID 137120327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).