2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline

C10H5Cl2N3 — CID 135867589

IUPAC2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline
SMILESClc1nc2c(ccc3nccc32)c(Cl)[nH]1
InChIInChI=1S/C10H5Cl2N3/c11-9-6-1-2-7-5(3-4-13-7)8(6)14-10(12)15-9/h1-4H,(H,14,15)
InChIKeyQCONZHBWULZQLQ-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.42
Rot. Bonds

About 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline

2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline (PubChem CID 135867589) has the molecular formula C10H5Cl2N3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline.

Molecular Properties

Compound Name2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline
PubChem CID135867589
Molecular FormulaC10H5Cl2N3
Molecular Weight238.08 g/mol
Exact Mass236.99
IUPAC Name2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline
SMILESClc1nc2c(ccc3nccc32)c(Cl)[nH]1
InChIInChI=1S/C10H5Cl2N3/c11-9-6-1-2-7-5(3-4-13-7)8(6)14-10(12)15-9/h1-4H,(H,14,15)
InChIKeyQCONZHBWULZQLQ-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline?
The IUPAC name of 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline (CID 135867589) is 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline.
What is the SMILES notation for 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline?
The canonical SMILES for 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline is Clc1nc2c(ccc3nccc32)c(Cl)[nH]1.
What is the InChIKey of 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline?
The InChIKey is QCONZHBWULZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3/c11-9-6-1-2-7-5(3-4-13-7)8(6)14-10(12)15-9/h1-4H,(H,14,15).
What are the key properties of 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline?
2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline has a molecular weight of 238.08 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3H-pyrrolo[2,3-h]quinazoline is sourced from PubChem (CID 135867589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).