7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol

C12H16N3O2P — CID 59068661

IUPAC7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol
SMILESCOc1cc2ncnc(NCCCP)c2cc1O
InChIInChI=1S/C12H16N3O2P/c1-17-11-6-9-8(5-10(11)16)12(15-7-14-9)13-3-2-4-18/h5-7,16H,2-4,18H2,1H3,(H,13,14,15)
InChIKeyCJALQNWMKOPLQW-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.02
Rot. Bonds5

About 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol

7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol (PubChem CID 59068661) has the molecular formula C12H16N3O2P and a molecular weight of 265.25 g/mol. Its IUPAC name is 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol.

Molecular Properties

Compound Name7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol
PubChem CID59068661
Molecular FormulaC12H16N3O2P
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol
SMILESCOc1cc2ncnc(NCCCP)c2cc1O
InChIInChI=1S/C12H16N3O2P/c1-17-11-6-9-8(5-10(11)16)12(15-7-14-9)13-3-2-4-18/h5-7,16H,2-4,18H2,1H3,(H,13,14,15)
InChIKeyCJALQNWMKOPLQW-UHFFFAOYSA-N
XLogP2.02
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

actinium;[hydroxy-[[(6-hydroxy-7-methoxyquinazolin-4-yl)amino]methyl]phosphoryl]methylphosphonic acid
CID 58735298
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
6-methoxy-7-methyl-4-[3-(sulfamoylamino)propylamino]quinazoline
CID 160601527
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol?
The IUPAC name of 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol (CID 59068661) is 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol.
What is the SMILES notation for 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol?
The canonical SMILES for 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol is COc1cc2ncnc(NCCCP)c2cc1O.
What is the InChIKey of 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol?
The InChIKey is CJALQNWMKOPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O2P/c1-17-11-6-9-8(5-10(11)16)12(15-7-14-9)13-3-2-4-18/h5-7,16H,2-4,18H2,1H3,(H,13,14,15).
What are the key properties of 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol?
7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol has a molecular weight of 265.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-phosphanylpropylamino)quinazolin-6-ol is sourced from PubChem (CID 59068661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).