2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline

C18H22N4O — CID 133472466

IUPAC2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(Oc4ccncc4)C3)n1)CCCC2
InChIInChI=1S/C18H22N4O/c1-13-20-17-5-3-2-4-16(17)18(21-13)22-11-8-15(12-22)23-14-6-9-19-10-7-14/h6-7,9-10,15H,2-5,8,11-12H2,1H3
InChIKeyQCXSURRPJZUKAP-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.72
Rot. Bonds3

About 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline

2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 133472466) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
PubChem CID133472466
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(Oc4ccncc4)C3)n1)CCCC2
InChIInChI=1S/C18H22N4O/c1-13-20-17-5-3-2-4-16(17)18(21-13)22-11-8-15(12-22)23-14-6-9-19-10-7-14/h6-7,9-10,15H,2-5,8,11-12H2,1H3
InChIKeyQCXSURRPJZUKAP-UHFFFAOYSA-N
XLogP2.72
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461258
4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460365
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
CID 133461027
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
1-benzyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazine-2-carbonitrile
CID 133460814
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
tert-butyl N-[(3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133472766
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline (CID 133472466) is 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline is Cc1nc2c(c(N3CCC(Oc4ccncc4)C3)n1)CCCC2.
What is the InChIKey of 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is QCXSURRPJZUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-20-17-5-3-2-4-16(17)18(21-13)22-11-8-15(12-22)23-14-6-9-19-10-7-14/h6-7,9-10,15H,2-5,8,11-12H2,1H3.
What are the key properties of 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 310.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133472466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).