(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane

C22H30N4O — CID 95211754

IUPAC(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
SMILESCc1nc(N2CCCO[C@H](CN3CCCC3)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C22H30N4O/c1-16-20-12-17-6-4-7-18(17)13-21(20)24-22(23-16)26-10-5-11-27-19(15-26)14-25-8-2-3-9-25/h12-13,19H,2-11,14-15H2,1H3/t19-/m1/s1
InChIKeyBIYDFIUFOPMDLN-LJQANCHMSA-N
MW366.51 g/mol
LogP3.12
Rot. Bonds3

About (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane

(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane (PubChem CID 95211754) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
PubChem CID95211754
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
SMILESCc1nc(N2CCCO[C@H](CN3CCCC3)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C22H30N4O/c1-16-20-12-17-6-4-7-18(17)13-21(20)24-22(23-16)26-10-5-11-27-19(15-26)14-25-8-2-3-9-25/h12-13,19H,2-11,14-15H2,1H3/t19-/m1/s1
InChIKeyBIYDFIUFOPMDLN-LJQANCHMSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane with MolForge

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Launch Full Analysis

Related Compounds

3-[(3R)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205397
3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205398
(2S)-4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 97206906
2-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95882898
4-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 70735297
2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol
CID 126462955
(2R)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 97187396
(2R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 99926715
N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45179708
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
2-(2-ethyl-1,4-oxazepan-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 114218802
4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 135090647

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
The IUPAC name of (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane (CID 95211754) is (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane is Cc1nc(N2CCCO[C@H](CN3CCCC3)C2)nc2cc3c(cc12)CCC3.
What is the InChIKey of (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
The InChIKey is BIYDFIUFOPMDLN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-20-12-17-6-4-7-18(17)13-21(20)24-22(23-16)26-10-5-11-27-19(15-26)14-25-8-2-3-9-25/h12-13,19H,2-11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane has a molecular weight of 366.51 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 95211754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).