6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one

C29H30N8O2 — CID 157360072

IUPAC6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
SMILESCC(C)n1ccnc1-c1cccc(-n2cnc3cc(N4CCOCC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C29H30N8O2/c1-19(2)36-9-8-30-28(36)22-4-3-5-27(33-22)37-18-32-23-15-26(34-10-12-39-13-11-34)25(14-21(23)29(37)38)35-16-24(31-17-35)20-6-7-20/h3-5,8-9,14-20H,6-7,10-13H2,1-2H3
InChIKeyGTMHHNWEVAOQEO-UHFFFAOYSA-N
MW522.61 g/mol
LogP4.12
Rot. Bonds6

About 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one

6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one (PubChem CID 157360072) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
PubChem CID157360072
Molecular FormulaC29H30N8O2
Molecular Weight522.61 g/mol
Exact Mass522.25
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
SMILESCC(C)n1ccnc1-c1cccc(-n2cnc3cc(N4CCOCC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C29H30N8O2/c1-19(2)36-9-8-30-28(36)22-4-3-5-27(33-22)37-18-32-23-15-26(34-10-12-39-13-11-34)25(14-21(23)29(37)38)35-16-24(31-17-35)20-6-7-20/h3-5,8-9,14-20H,6-7,10-13H2,1-2H3
InChIKeyGTMHHNWEVAOQEO-UHFFFAOYSA-N
XLogP4.12
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.61
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one
CID 161080606
7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
CID 161090370
7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
CID 146431077
6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 166763673
7-(4-cyclopropylimidazol-1-yl)-4-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-3-one
CID 175372636
6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 162710738
4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine
CID 148778768
2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide
CID 175970304
6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one
CID 154991696
5-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 137435676
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694
7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[2-(sulfinoamino)ethyl]quinazoline
CID 156635532

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one (CID 157360072) is 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one is CC(C)n1ccnc1-c1cccc(-n2cnc3cc(N4CCOCC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
The InChIKey is GTMHHNWEVAOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-19(2)36-9-8-30-28(36)22-4-3-5-27(33-22)37-18-32-23-15-26(34-10-12-39-13-11-34)25(14-21(23)29(37)38)35-16-24(31-17-35)20-6-7-20/h3-5,8-9,14-20H,6-7,10-13H2,1-2H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one has a molecular weight of 522.61 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 157360072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).