(1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine

C13H14N4 — CID 135744187

IUPAC(1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine
SMILESCc1nc2ccc3ncc(CN)c3c2c(C)[nH]1
InChIInChI=1S/C13H14N4/c1-7-12-11(17-8(2)16-7)4-3-10-13(12)9(5-14)6-15-10/h3-4,6H,5,14H2,1-2H3,(H,16,17)
InChIKeyYQGCEMOYVLOVSZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.19
Rot. Bonds1

About (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine

(1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine (PubChem CID 135744187) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine
PubChem CID135744187
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name(1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine
SMILESCc1nc2ccc3ncc(CN)c3c2c(C)[nH]1
InChIInChI=1S/C13H14N4/c1-7-12-11(17-8(2)16-7)4-3-10-13(12)9(5-14)6-15-10/h3-4,6H,5,14H2,1-2H3,(H,16,17)
InChIKeyYQGCEMOYVLOVSZ-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine?
The IUPAC name of (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine (CID 135744187) is (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine.
What is the SMILES notation for (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine?
The canonical SMILES for (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine is Cc1nc2ccc3ncc(CN)c3c2c(C)[nH]1.
What is the InChIKey of (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine?
The InChIKey is YQGCEMOYVLOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-7-12-11(17-8(2)16-7)4-3-10-13(12)9(5-14)6-15-10/h3-4,6H,5,14H2,1-2H3,(H,16,17).
What are the key properties of (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine?
(1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine has a molecular weight of 226.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-pyrrolo[3,2-f]quinazolin-9-yl)methanamine is sourced from PubChem (CID 135744187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).