1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol

C21H21N3O — CID 170795333

IUPAC1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(N(C)c3ccccc3)nc3cccn3c2c1
InChIInChI=1S/C21H21N3O/c1-3-19(25)15-11-12-17-18(14-15)24-13-7-10-20(24)22-21(17)23(2)16-8-5-4-6-9-16/h4-14,19,25H,3H2,1-2H3
InChIKeyOZRBLDYXYVCGGB-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.70
Rot. Bonds4

About 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol

1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol (PubChem CID 170795333) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol
PubChem CID170795333
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(N(C)c3ccccc3)nc3cccn3c2c1
InChIInChI=1S/C21H21N3O/c1-3-19(25)15-11-12-17-18(14-15)24-13-7-10-20(24)22-21(17)23(2)16-8-5-4-6-9-16/h4-14,19,25H,3H2,1-2H3
InChIKeyOZRBLDYXYVCGGB-UHFFFAOYSA-N
XLogP4.70
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol?
The IUPAC name of 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol (CID 170795333) is 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol?
The canonical SMILES for 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol is CCC(O)c1ccc2c(N(C)c3ccccc3)nc3cccn3c2c1.
What is the InChIKey of 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol?
The InChIKey is OZRBLDYXYVCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-19(25)15-11-12-17-18(14-15)24-13-7-10-20(24)22-21(17)23(2)16-8-5-4-6-9-16/h4-14,19,25H,3H2,1-2H3.
What are the key properties of 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol?
1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol has a molecular weight of 331.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-methylanilino)pyrrolo[1,2-a]quinazolin-8-yl]propan-1-ol is sourced from PubChem (CID 170795333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).