(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol

C20H23N5O — CID 166296812

IUPAC(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H23N5O/c1-24(2)12-15-10-16(26)13-25(15)20-17-7-3-4-8-18(17)22-19(23-20)14-6-5-9-21-11-14/h3-9,11,15-16,26H,10,12-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyBEHLTKCLTOTAIP-HZPDHXFCSA-N
MW349.44 g/mol
LogP2.19
Rot. Bonds4

About (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol (PubChem CID 166296812) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
PubChem CID166296812
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H23N5O/c1-24(2)12-15-10-16(26)13-25(15)20-17-7-3-4-8-18(17)22-19(23-20)14-6-5-9-21-11-14/h3-9,11,15-16,26H,10,12-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyBEHLTKCLTOTAIP-HZPDHXFCSA-N
XLogP2.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol with MolForge

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Related Compounds

2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol
CID 78819129
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133288141
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol (CID 166296812) is (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol?
The InChIKey is BEHLTKCLTOTAIP-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(2)12-15-10-16(26)13-25(15)20-17-7-3-4-8-18(17)22-19(23-20)14-6-5-9-21-11-14/h3-9,11,15-16,26H,10,12-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol?
(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol has a molecular weight of 349.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 166296812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).