2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid

C30H25N5O5 — CID 21201474

IUPAC2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid
SMILESCc1cc2c3c(c1)C(c1ccccc1)=NC(n1c(C)nc4cc(C(=O)NCC(=O)O)ccc4c1=O)C(=O)N3CC2
InChIInChI=1S/C30H25N5O5/c1-16-12-19-10-11-34-26(19)22(13-16)25(18-6-4-3-5-7-18)33-27(30(34)40)35-17(2)32-23-14-20(8-9-21(23)29(35)39)28(38)31-15-24(36)37/h3-9,12-14,27H,10-11,15H2,1-2H3,(H,31,38)(H,36,37)
InChIKeyZMQVMTHXUQGCFV-UHFFFAOYSA-N
MW535.56 g/mol
LogP2.77
Rot. Bonds5

About 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid

2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid (PubChem CID 21201474) has the molecular formula C30H25N5O5 and a molecular weight of 535.56 g/mol. Its IUPAC name is 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid
PubChem CID21201474
Molecular FormulaC30H25N5O5
Molecular Weight535.56 g/mol
Exact Mass535.19
IUPAC Name2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid
SMILESCc1cc2c3c(c1)C(c1ccccc1)=NC(n1c(C)nc4cc(C(=O)NCC(=O)O)ccc4c1=O)C(=O)N3CC2
InChIInChI=1S/C30H25N5O5/c1-16-12-19-10-11-34-26(19)22(13-16)25(18-6-4-3-5-7-18)33-27(30(34)40)35-17(2)32-23-14-20(8-9-21(23)29(35)39)28(38)31-15-24(36)37/h3-9,12-14,27H,10-11,15H2,1-2H3,(H,31,38)(H,36,37)
InChIKeyZMQVMTHXUQGCFV-UHFFFAOYSA-N
XLogP2.77
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

Osi-7904
CID 135403832
(S)-2-{5-[Methyl-(3-methyl-1-oxo-1,2-dihydro-benzo[f]quinazolin-9-ylmethyl)-amino]-1-oxo-1,3-dihydro-isoindol-2-yl}-pentanedioic acid
CID 135488050
GW1843
CID 135814155
(2S)-2-[6-[(3-amino-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid
CID 136045807
ethyl 2-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]acetate
CID 135925126
N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 25162195
1843U89
CID 135912122
9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26661305
(11S)-11-(5-fluoro-2-methyl-4-oxoquinazolin-3-yl)-6-methyl-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 15392109
2-[[2-[(12-Oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid
CID 138963536
1-(Carboxymethylamino)-2-(12-oxoindolo[2,1-b]quinazolin-6-ylidene)azaniumylethanolate
CID 138963537
(Z)-3-benzyl-2-((5-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one
CID 135606035

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid (CID 21201474) is 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid is Cc1cc2c3c(c1)C(c1ccccc1)=NC(n1c(C)nc4cc(C(=O)NCC(=O)O)ccc4c1=O)C(=O)N3CC2.
What is the InChIKey of 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid?
The InChIKey is ZMQVMTHXUQGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O5/c1-16-12-19-10-11-34-26(19)22(13-16)25(18-6-4-3-5-7-18)33-27(30(34)40)35-17(2)32-23-14-20(8-9-21(23)29(35)39)28(38)31-15-24(36)37/h3-9,12-14,27H,10-11,15H2,1-2H3,(H,31,38)(H,36,37).
What are the key properties of 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid?
2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid has a molecular weight of 535.56 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-4-oxoquinazoline-7-carbonyl]amino]acetic acid is sourced from PubChem (CID 21201474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).