8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid

C30H36N6O4 — CID 66682665

IUPAC8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
SMILESCN1CC(c2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(OCCN5CCOCC5)cc4)nc2-3)(C2(N)CC2)C1
InChIInChI=1S/C30H36N6O4/c1-35-17-29(18-35,30(31)8-9-30)26-23(28(37)38)22-7-4-20-16-32-27(34-24(20)25(22)33-26)19-2-5-21(6-3-19)40-15-12-36-10-13-39-14-11-36/h2-3,5-6,16,33H,4,7-15,17-18,31H2,1H3,(H,37,38)
InChIKeyUZUZQYUNDONEDS-UHFFFAOYSA-N
MW544.66 g/mol
LogP2.32
Rot. Bonds8

About 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid

8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid (PubChem CID 66682665) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
PubChem CID66682665
Molecular FormulaC30H36N6O4
Molecular Weight544.66 g/mol
Exact Mass544.28
IUPAC Name8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
SMILESCN1CC(c2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(OCCN5CCOCC5)cc4)nc2-3)(C2(N)CC2)C1
InChIInChI=1S/C30H36N6O4/c1-35-17-29(18-35,30(31)8-9-30)26-23(28(37)38)22-7-4-20-16-32-27(34-24(20)25(22)33-26)19-2-5-21(6-3-19)40-15-12-36-10-13-39-14-11-36/h2-3,5-6,16,33H,4,7-15,17-18,31H2,1H3,(H,37,38)
InChIKeyUZUZQYUNDONEDS-UHFFFAOYSA-N
XLogP2.32
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.66
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid with MolForge

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Related Compounds

8-[3-(1-aminocyclopropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66683656
1'-methyl-4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 56666416
2-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-8-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66682664
CID 59558620
CID 59558620
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
3-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343239
4-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 89209008
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
ethyl 2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate
CID 56640834
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
The IUPAC name of 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid (CID 66682665) is 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid.
What is the SMILES notation for 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
The canonical SMILES for 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid is CN1CC(c2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(OCCN5CCOCC5)cc4)nc2-3)(C2(N)CC2)C1.
What is the InChIKey of 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
The InChIKey is UZUZQYUNDONEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O4/c1-35-17-29(18-35,30(31)8-9-30)26-23(28(37)38)22-7-4-20-16-32-27(34-24(20)25(22)33-26)19-2-5-21(6-3-19)40-15-12-36-10-13-39-14-11-36/h2-3,5-6,16,33H,4,7-15,17-18,31H2,1H3,(H,37,38).
What are the key properties of 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid has a molecular weight of 544.66 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid is sourced from PubChem (CID 66682665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).