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

C17H16N6O — CID 162432184

IUPAC7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1ccnc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1
InChIInChI=1S/C17H16N6O/c1-24-11-4-6-20-10(8-11)9-23-7-5-12-14(23)3-2-13-15(12)16(18)22-17(19)21-13/h2-8H,9H2,1H3,(H4,18,19,21,22)
InChIKeyWDFAAEOMAHLHPG-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.20
Rot. Bonds3

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

7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 162432184) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID162432184
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1ccnc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1
InChIInChI=1S/C17H16N6O/c1-24-11-4-6-20-10(8-11)9-23-7-5-12-14(23)3-2-13-15(12)16(18)22-17(19)21-13/h2-8H,9H2,1H3,(H4,18,19,21,22)
InChIKeyWDFAAEOMAHLHPG-UHFFFAOYSA-N
XLogP2.20
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 162432184) is 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is COc1ccnc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1.
What is the InChIKey of 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is WDFAAEOMAHLHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-24-11-4-6-20-10(8-11)9-23-7-5-12-14(23)3-2-13-15(12)16(18)22-17(19)21-13/h2-8H,9H2,1H3,(H4,18,19,21,22).
What are the key properties of 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 320.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxy-2-pyridinyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 162432184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).