2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol

C19H20N4O — CID 2229279

IUPAC2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
SMILESOc1ccccc1Nc1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c24-17-12-6-5-11-16(17)22-19-21-15-10-4-3-9-14(15)18(23-19)20-13-7-1-2-8-13/h3-6,9-13,24H,1-2,7-8H2,(H2,20,21,22,23)
InChIKeyNVWKDZUQNHFVIX-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.43
Rot. Bonds4

About 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol

2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol (PubChem CID 2229279) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
PubChem CID2229279
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
SMILESOc1ccccc1Nc1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c24-17-12-6-5-11-16(17)22-19-21-15-10-4-3-9-14(15)18(23-19)20-13-7-1-2-8-13/h3-6,9-13,24H,1-2,7-8H2,(H2,20,21,22,23)
InChIKeyNVWKDZUQNHFVIX-UHFFFAOYSA-N
XLogP4.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol (CID 2229279) is 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol is Oc1ccccc1Nc1nc(NC2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol?
The InChIKey is NVWKDZUQNHFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-17-12-6-5-11-16(17)22-19-21-15-10-4-3-9-14(15)18(23-19)20-13-7-1-2-8-13/h3-6,9-13,24H,1-2,7-8H2,(H2,20,21,22,23).
What are the key properties of 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol?
2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol has a molecular weight of 320.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 2229279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).