4-(3-phenylpropylamino)quinazolin-7-ol

C17H17N3O — CID 137026727

IUPAC4-(3-phenylpropylamino)quinazolin-7-ol
SMILESOc1ccc2c(NCCCc3ccccc3)ncnc2c1
InChIInChI=1S/C17H17N3O/c21-14-8-9-15-16(11-14)19-12-20-17(15)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,18,19,20)
InChIKeyNDUFZJRAFJWGNO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.38
Rot. Bonds5

About 4-(3-phenylpropylamino)quinazolin-7-ol

4-(3-phenylpropylamino)quinazolin-7-ol (PubChem CID 137026727) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(3-phenylpropylamino)quinazolin-7-ol.

Molecular Properties

Compound Name4-(3-phenylpropylamino)quinazolin-7-ol
PubChem CID137026727
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(3-phenylpropylamino)quinazolin-7-ol
SMILESOc1ccc2c(NCCCc3ccccc3)ncnc2c1
InChIInChI=1S/C17H17N3O/c21-14-8-9-15-16(11-14)19-12-20-17(15)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,18,19,20)
InChIKeyNDUFZJRAFJWGNO-UHFFFAOYSA-N
XLogP3.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
4-(3-phenylpropylamino)-8-(piperidin-1-ylmethyl)quinazolin-7-ol
CID 137317608
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597997
3-(3-phenylpropylamino)phenol
CID 28722963
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
2-amino-1-phenyl-7-(quinazolin-4-ylamino)heptan-4-one
CID 158822658
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropylamino)quinazolin-7-ol?
The IUPAC name of 4-(3-phenylpropylamino)quinazolin-7-ol (CID 137026727) is 4-(3-phenylpropylamino)quinazolin-7-ol.
What is the SMILES notation for 4-(3-phenylpropylamino)quinazolin-7-ol?
The canonical SMILES for 4-(3-phenylpropylamino)quinazolin-7-ol is Oc1ccc2c(NCCCc3ccccc3)ncnc2c1.
What is the InChIKey of 4-(3-phenylpropylamino)quinazolin-7-ol?
The InChIKey is NDUFZJRAFJWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-14-8-9-15-16(11-14)19-12-20-17(15)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,18,19,20).
What are the key properties of 4-(3-phenylpropylamino)quinazolin-7-ol?
4-(3-phenylpropylamino)quinazolin-7-ol has a molecular weight of 279.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropylamino)quinazolin-7-ol is sourced from PubChem (CID 137026727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).