2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol

C17H18N4O2 — CID 135898999

IUPAC2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
SMILESC[C@@H](N)CNc1nc(-c2cc(O)ccc2O)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c1-10(18)9-19-16-12-4-2-3-5-14(12)20-17(21-16)13-8-11(22)6-7-15(13)23/h2-8,10,22-23H,9,18H2,1H3,(H,19,20,21)/t10-/m1/s1
InChIKeyCBCFAFVVNCHALB-SNVBAGLBSA-N
MW310.36 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol

2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol (PubChem CID 135898999) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
PubChem CID135898999
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
SMILESC[C@@H](N)CNc1nc(-c2cc(O)ccc2O)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c1-10(18)9-19-16-12-4-2-3-5-14(12)20-17(21-16)13-8-11(22)6-7-15(13)23/h2-8,10,22-23H,9,18H2,1H3,(H,19,20,21)/t10-/m1/s1
InChIKeyCBCFAFVVNCHALB-SNVBAGLBSA-N
XLogP2.47
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol?
The IUPAC name of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol (CID 135898999) is 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol?
The canonical SMILES for 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol is C[C@@H](N)CNc1nc(-c2cc(O)ccc2O)nc2ccccc12.
What is the InChIKey of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol?
The InChIKey is CBCFAFVVNCHALB-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10(18)9-19-16-12-4-2-3-5-14(12)20-17(21-16)13-8-11(22)6-7-15(13)23/h2-8,10,22-23H,9,18H2,1H3,(H,19,20,21)/t10-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol?
2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol has a molecular weight of 310.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol is sourced from PubChem (CID 135898999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).