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

C18H17N5O — CID 44531724

IUPAC7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1cccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1
InChIInChI=1S/C18H17N5O/c1-24-12-4-2-3-11(9-12)10-23-8-7-13-15(23)6-5-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22)
InChIKeyKRJOUGBAJCNBKK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.81
Rot. Bonds3

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

7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 44531724) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID44531724
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1cccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1
InChIInChI=1S/C18H17N5O/c1-24-12-4-2-3-11(9-12)10-23-8-7-13-15(23)6-5-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22)
InChIKeyKRJOUGBAJCNBKK-UHFFFAOYSA-N
XLogP2.81
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 44531724) is 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is COc1cccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is KRJOUGBAJCNBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-24-12-4-2-3-11(9-12)10-23-8-7-13-15(23)6-5-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22).
What are the key properties of 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 319.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 44531724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).