3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one

C34H24N2O3 — CID 163923162

IUPAC3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one
SMILESCc1cc2c3ccccc3n(C)c(=O)n2c1/C=C\Cc1c2oc3ccccc3c2cc2c1oc1ccccc12
InChIInChI=1S/C34H24N2O3/c1-20-18-29-23-12-3-6-14-28(23)35(2)34(37)36(29)27(20)15-9-13-24-32-25(21-10-4-7-16-30(21)38-32)19-26-22-11-5-8-17-31(22)39-33(24)26/h3-12,14-19H,13H2,1-2H3/b15-9-
InChIKeyRCEMPBAQKQWKCH-DHDCSXOGSA-N
MW508.58 g/mol
LogP8.15
Rot. Bonds3

About 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one

3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one (PubChem CID 163923162) has the molecular formula C34H24N2O3 and a molecular weight of 508.58 g/mol. Its IUPAC name is 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one
PubChem CID163923162
Molecular FormulaC34H24N2O3
Molecular Weight508.58 g/mol
Exact Mass508.18
IUPAC Name3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one
SMILESCc1cc2c3ccccc3n(C)c(=O)n2c1/C=C\Cc1c2oc3ccccc3c2cc2c1oc1ccccc12
InChIInChI=1S/C34H24N2O3/c1-20-18-29-23-12-3-6-14-28(23)35(2)34(37)36(29)27(20)15-9-13-24-32-25(21-10-4-7-16-30(21)38-32)19-26-22-11-5-8-17-31(22)39-33(24)26/h3-12,14-19H,13H2,1-2H3/b15-9-
InChIKeyRCEMPBAQKQWKCH-DHDCSXOGSA-N
XLogP8.15
TPSA52.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one with MolForge

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Related Compounds

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CID 163436695
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11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one (CID 163923162) is 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one is Cc1cc2c3ccccc3n(C)c(=O)n2c1/C=C\Cc1c2oc3ccccc3c2cc2c1oc1ccccc12.
What is the InChIKey of 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one?
The InChIKey is RCEMPBAQKQWKCH-DHDCSXOGSA-N. The full InChI is InChI=1S/C34H24N2O3/c1-20-18-29-23-12-3-6-14-28(23)35(2)34(37)36(29)27(20)15-9-13-24-32-25(21-10-4-7-16-30(21)38-32)19-26-22-11-5-8-17-31(22)39-33(24)26/h3-12,14-19H,13H2,1-2H3/b15-9-.
What are the key properties of 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one?
3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one has a molecular weight of 508.58 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 163923162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).