4-chloro-3H-pyrrolo[3,2-g]quinazoline

C10H6ClN3 — CID 136951522

IUPAC4-chloro-3H-pyrrolo[3,2-g]quinazoline
SMILESClc1[nH]cnc2cc3nccc3cc12
InChIInChI=1S/C10H6ClN3/c11-10-7-3-6-1-2-12-8(6)4-9(7)13-5-14-10/h1-5H,(H,13,14)
InChIKeyDARXGNKZKFVAFE-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.76
Rot. Bonds

About 4-chloro-3H-pyrrolo[3,2-g]quinazoline

4-chloro-3H-pyrrolo[3,2-g]quinazoline (PubChem CID 136951522) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-chloro-3H-pyrrolo[3,2-g]quinazoline.

Molecular Properties

Compound Name4-chloro-3H-pyrrolo[3,2-g]quinazoline
PubChem CID136951522
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name4-chloro-3H-pyrrolo[3,2-g]quinazoline
SMILESClc1[nH]cnc2cc3nccc3cc12
InChIInChI=1S/C10H6ClN3/c11-10-7-3-6-1-2-12-8(6)4-9(7)13-5-14-10/h1-5H,(H,13,14)
InChIKeyDARXGNKZKFVAFE-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3H-pyrrolo[3,2-g]quinazoline?
The IUPAC name of 4-chloro-3H-pyrrolo[3,2-g]quinazoline (CID 136951522) is 4-chloro-3H-pyrrolo[3,2-g]quinazoline.
What is the SMILES notation for 4-chloro-3H-pyrrolo[3,2-g]quinazoline?
The canonical SMILES for 4-chloro-3H-pyrrolo[3,2-g]quinazoline is Clc1[nH]cnc2cc3nccc3cc12.
What is the InChIKey of 4-chloro-3H-pyrrolo[3,2-g]quinazoline?
The InChIKey is DARXGNKZKFVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-10-7-3-6-1-2-12-8(6)4-9(7)13-5-14-10/h1-5H,(H,13,14).
What are the key properties of 4-chloro-3H-pyrrolo[3,2-g]quinazoline?
4-chloro-3H-pyrrolo[3,2-g]quinazoline has a molecular weight of 203.63 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3H-pyrrolo[3,2-g]quinazoline is sourced from PubChem (CID 136951522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).