5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C25H28ClN5O3 — CID 137416672

IUPAC5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(C5C=CC=CN5)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C25H28ClN5O3/c26-17-14-16-15-18(23(32)31-12-10-30(11-13-31)19-6-2-5-9-27-19)34-22(16)20-21(17)28-24(33)29-25(20)7-3-1-4-8-25/h2,5-6,9,14-15,19,27H,1,3-4,7-8,10-13H2,(H2,28,29,33)
InChIKeyLMJJKCZNSSPOAK-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.14
Rot. Bonds2

About 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416672) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416672
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(C5C=CC=CN5)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C25H28ClN5O3/c26-17-14-16-15-18(23(32)31-12-10-30(11-13-31)19-6-2-5-9-27-19)34-22(16)20-21(17)28-24(33)29-25(20)7-3-1-4-8-25/h2,5-6,9,14-15,19,27H,1,3-4,7-8,10-13H2,(H2,28,29,33)
InChIKeyLMJJKCZNSSPOAK-UHFFFAOYSA-N
XLogP4.14
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(morpholine-4-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416075
2-[4-(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carbonyl)piperazin-1-yl]acetaldehyde
CID 137416607
5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415961
5-chloro-2-(3-oxodiazinane-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 142516396
5-chloro-2-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416801
5-chloro-2-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 142516429
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416193
5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416880
5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 170336946
5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 137416625
5-chloro-2-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415997
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 137416746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416672) is 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(C5C=CC=CN5)CC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is LMJJKCZNSSPOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c26-17-14-16-15-18(23(32)31-12-10-30(11-13-31)19-6-2-5-9-27-19)34-22(16)20-21(17)28-24(33)29-25(20)7-3-1-4-8-25/h2,5-6,9,14-15,19,27H,1,3-4,7-8,10-13H2,(H2,28,29,33).
What are the key properties of 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 481.98 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).