[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol

C19H19N5O — CID 167549469

IUPAC[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol
SMILESCc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1
InChIInChI=1S/C19H19N5O/c1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25/h2-8,25H,9-10,20H2,1H3,(H2,21,22,23)
InChIKeyMSFLZHFVQQRKBT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.60
Rot. Bonds3

About [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol

[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol (PubChem CID 167549469) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol
PubChem CID167549469
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol
SMILESCc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1
InChIInChI=1S/C19H19N5O/c1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25/h2-8,25H,9-10,20H2,1H3,(H2,21,22,23)
InChIKeyMSFLZHFVQQRKBT-UHFFFAOYSA-N
XLogP2.60
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol?
The IUPAC name of [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol (CID 167549469) is [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol.
What is the SMILES notation for [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol?
The canonical SMILES for [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol is Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1.
What is the InChIKey of [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol?
The InChIKey is MSFLZHFVQQRKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25/h2-8,25H,9-10,20H2,1H3,(H2,21,22,23).
What are the key properties of [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol?
[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol has a molecular weight of 333.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol is sourced from PubChem (CID 167549469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).