6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline

C23H29N5O2 — CID 126466501

IUPAC6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cc2nc(CN3CCn4cccc4C3C)nc(N3CCCC3)c2cc1OC
InChIInChI=1S/C23H29N5O2/c1-16-19-7-6-10-26(19)11-12-28(16)15-22-24-18-14-21(30-3)20(29-2)13-17(18)23(25-22)27-8-4-5-9-27/h6-7,10,13-14,16H,4-5,8-9,11-12,15H2,1-3H3
InChIKeyDZRZGGYEHJNJJA-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.63
Rot. Bonds5

About 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline

6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline (PubChem CID 126466501) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline
PubChem CID126466501
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cc2nc(CN3CCn4cccc4C3C)nc(N3CCCC3)c2cc1OC
InChIInChI=1S/C23H29N5O2/c1-16-19-7-6-10-26(19)11-12-28(16)15-22-24-18-14-21(30-3)20(29-2)13-17(18)23(25-22)27-8-4-5-9-27/h6-7,10,13-14,16H,4-5,8-9,11-12,15H2,1-3H3
InChIKeyDZRZGGYEHJNJJA-UHFFFAOYSA-N
XLogP3.63
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline with MolForge

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Related Compounds

2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
(1R)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579777
(1S)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579774
2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 171988162
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
CID 56696133
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline
CID 18154508
1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 47010830
2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 42885236
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567988

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline (CID 126466501) is 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline is COc1cc2nc(CN3CCn4cccc4C3C)nc(N3CCCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline?
The InChIKey is DZRZGGYEHJNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-19-7-6-10-26(19)11-12-28(16)15-22-24-18-14-21(30-3)20(29-2)13-17(18)23(25-22)27-8-4-5-9-27/h6-7,10,13-14,16H,4-5,8-9,11-12,15H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline?
6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline has a molecular weight of 407.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 126466501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).