N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide

C26H21ClN6O2 — CID 10390638

IUPACN-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1-c1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C26H21ClN6O2/c1-17(34)28-12-14-32-15-13-29-24(32)18-6-8-19(9-7-18)25-31-22-5-3-2-4-21(22)26(35)33(25)23-11-10-20(27)16-30-23/h2-11,13,15-16H,12,14H2,1H3,(H,28,34)
InChIKeyRVGOQWXSDUOSTM-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.10
Rot. Bonds6

About N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide

N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide (PubChem CID 10390638) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide
PubChem CID10390638
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC NameN-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1-c1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C26H21ClN6O2/c1-17(34)28-12-14-32-15-13-29-24(32)18-6-8-19(9-7-18)25-31-22-5-3-2-4-21(22)26(35)33(25)23-11-10-20(27)16-30-23/h2-11,13,15-16H,12,14H2,1H3,(H,28,34)
InChIKeyRVGOQWXSDUOSTM-UHFFFAOYSA-N
XLogP4.10
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide (CID 10390638) is N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1ccnc1-c1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cn2)cc1.
What is the InChIKey of N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide?
The InChIKey is RVGOQWXSDUOSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c1-17(34)28-12-14-32-15-13-29-24(32)18-6-8-19(9-7-18)25-31-22-5-3-2-4-21(22)26(35)33(25)23-11-10-20(27)16-30-23/h2-11,13,15-16H,12,14H2,1H3,(H,28,34).
What are the key properties of N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide?
N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide has a molecular weight of 484.95 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]phenyl]imidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 10390638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).