7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

C19H15N5 — CID 162432139

IUPAC7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESC#Cc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1
InChIInChI=1S/C19H15N5/c1-2-12-3-5-13(6-4-12)11-24-10-9-14-16(24)8-7-15-17(14)18(20)23-19(21)22-15/h1,3-10H,11H2,(H4,20,21,22,23)
InChIKeyKXLQOTMVVDEPTO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.78
Rot. Bonds2

About 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 162432139) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID162432139
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESC#Cc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1
InChIInChI=1S/C19H15N5/c1-2-12-3-5-13(6-4-12)11-24-10-9-14-16(24)8-7-15-17(14)18(20)23-19(21)22-15/h1,3-10H,11H2,(H4,20,21,22,23)
InChIKeyKXLQOTMVVDEPTO-UHFFFAOYSA-N
XLogP2.78
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531726
7-(1,3-benzothiazol-5-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 168679720
7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531949
7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 22767727
4-[(2,4-diaminopyrrolo[2,3-h]quinazolin-7-yl)methyl]benzonitrile
CID 166549463
7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 162432184
1-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 68976828
7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine
CID 177334875
1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one
CID 86581695
[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol
CID 167549469
7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 162432186
benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
CID 177334894

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 162432139) is 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is C#Cc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1.
What is the InChIKey of 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is KXLQOTMVVDEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-12-3-5-13(6-4-12)11-24-10-9-14-16(24)8-7-15-17(14)18(20)23-19(21)22-15/h1,3-10H,11H2,(H4,20,21,22,23).
What are the key properties of 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 313.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethynylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 162432139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).