3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one

C23H18ClN3O2 — CID 32515769

IUPAC3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H18ClN3O2/c24-15-9-10-20-19(11-15)23(29)26(14-25-20)12-16(28)13-27-21-7-3-1-5-17(21)18-6-2-4-8-22(18)27/h1-11,14,16,28H,12-13H2/t16-/m1/s1
InChIKeyIGGPPQJGIYZXQN-MRXNPFEDSA-N
MW403.87 g/mol
LogP4.22
Rot. Bonds4

About 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one

3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one (PubChem CID 32515769) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
PubChem CID32515769
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H18ClN3O2/c24-15-9-10-20-19(11-15)23(29)26(14-25-20)12-16(28)13-27-21-7-3-1-5-17(21)18-6-2-4-8-22(18)27/h1-11,14,16,28H,12-13H2/t16-/m1/s1
InChIKeyIGGPPQJGIYZXQN-MRXNPFEDSA-N
XLogP4.22
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one?
The IUPAC name of 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one (CID 32515769) is 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one.
What is the SMILES notation for 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one?
The canonical SMILES for 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one?
The InChIKey is IGGPPQJGIYZXQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-15-9-10-20-19(11-15)23(29)26(14-25-20)12-16(28)13-27-21-7-3-1-5-17(21)18-6-2-4-8-22(18)27/h1-11,14,16,28H,12-13H2/t16-/m1/s1.
What are the key properties of 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one?
3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one has a molecular weight of 403.87 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one is sourced from PubChem (CID 32515769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).